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2-Naphthylamine-6-sulfonmethylamide
2-Naphthylamine-6-sulfonmethylamide ID: API-28767
CAS:104295-55-8
Supplier:APIchem

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SMILES:S(=O)(=O)(NC)c1cc2c(cc1)cc(N)cc2	ChemMol.com
FORMULA: C11H12N2O2S
MASS: 236.2902
EXACT MASS: 236.0619486
INTERATOMIC DISTANCES

              S   1      O   2      O   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   O   2    1.0001     0.0000 
   O   3    1.0000     2.0000     0.0000 
   N   4    1.0000     1.4143     1.4142     0.0000 
   N   5    5.6381     5.8774     5.5706     6.6277     0.0000 
   C   6    2.6458     3.1197     2.5036     3.6055     3.0693     0.0000 
   C   7    1.0001     1.4143     1.4142     2.0000     4.6528     1.7320 
   C   8    3.0000     3.1623     3.1623     4.0000     2.7152     1.0000 
   C   9    1.7321     2.3942     1.5060     2.6458     4.0693     1.0000 
   C  10    1.7321     1.5060     2.3942     2.6458     4.4272     2.0000 
   C  11    2.6458     2.5036     3.1196     3.6056     3.5302     1.7320 
   C  12    4.0416     4.1596     4.1673     5.0416     1.7701     1.7761 
   C  13    3.4923     4.0924     3.1055     4.3829     2.7151     1.0416 
   C  14    4.6536     4.9417     4.5708     5.6387     1.0000     2.0693 
   C  15    4.4241     4.9134     4.1237     5.3544     1.7702     1.8001 
   C  16    1.7320     1.5060     2.3941     1.0000     7.2812     4.3589 
   H  17    1.8397     2.6816     1.2564     2.6009     4.4106     1.4158 
   H  18    1.8397     1.2563     2.6815     2.6008     4.9377     2.6200 
   H  19    3.1408     2.8387     3.6973     4.0601     3.5800     2.2901 
   H  20    4.3809     4.3679     4.6157     5.3742     1.8858     2.3301 
   H  21    3.5458     4.2652     2.9924     4.3536     3.2148     1.4559 
   H  22    4.9367     5.4787     4.5527     5.8381     1.8859     2.3594 
   H  23    1.4158     2.0195     1.3894     0.6200     6.8877     3.8242 
   H  24    1.5200     0.9790     2.3796     1.1766     6.8476     4.0203 
   H  25    2.2900     1.8543     3.0083     1.6199     7.7237     4.8707 
   H  26    2.1114     2.0847     2.5632     1.1766     7.7402     4.7545 
   H  27    6.0489     6.3574     5.8958     7.0250     0.6200     3.4254 
   H  28    5.8870     6.0280     5.9142     6.8856     0.6200     3.4179 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.0000     1.7320     0.0000 
   C  10    1.0000     1.7320     1.7320     0.0000 
   C  11    1.7320     1.0000     2.0000     1.0000     0.0000 
   C  12    3.0416     1.0417     2.6903     2.6799     1.7603     0.0000 
   C  13    2.6799     1.7760     1.7603     3.0415     2.6902     2.0693 
   C  14    3.6766     1.8001     3.0693     3.5321     2.7087     1.0416 
   C  15    3.5321     2.0693     2.7087     3.6766     3.0693     1.8001 
   C  16    2.6458     4.5826     3.4641     3.0000     4.0000     5.6064 
   H  17    1.4158     2.2901     0.6200     2.2901     2.6200     3.1851 
   H  18    1.4158     2.2901     2.2901     0.6201     1.4158     3.1710 
   H  19    2.2901     1.4158     2.6200     1.4158     0.6200     1.8548 
   H  20    3.3913     1.4559     3.1812     2.8621     1.8711     0.6200 
   H  21    2.8620     2.3300     1.8710     3.3912     3.1811     2.6893 
   H  22    4.0814     2.6893     3.2062     4.2806     3.6893     2.3594 
   H  23    2.3716     4.3433     2.8292     3.1408     4.0601     5.3801 
   H  24    2.2884     4.1338     3.1995     2.4825     3.4769     5.1373 
   H  25    3.1408     5.0104     4.0130     3.3533     4.3433     6.0136 
   H  26    3.0874     5.0675     3.8121     3.5505     4.5475     6.1024 
   H  27    5.0819     3.2095     4.4154     4.9389     4.0781     2.3301 
   H  28    4.8890     2.8972     4.4087     4.5402     3.5860     1.8698 

              C  13      C  14      C  15      C  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.8000     0.0000 
   C  15    1.0416     1.0416     0.0000 
   C  16    5.2242     6.3159     6.1488     0.0000 
   H  17    1.8548     3.4191     2.8837     3.5191     0.0000 
   H  18    3.6616     4.0793     4.2811     2.7430     2.8059     0.0000 
   H  19    3.1850     2.8837     3.4191     4.3433     3.2400     1.6200 
   H  20    2.6893     1.4559     2.3594     5.8535     3.7143     3.2669 
   H  21    0.6200     2.3593     1.4558     5.2578     1.7531     4.0042 
   H  22    1.4558     1.4559     0.6201     6.6680     3.2971     4.8891 
   H  23    4.4912     5.8894     5.5017     1.4158     2.6458     3.1644 
   H  24    4.9472     5.9027     5.8204     0.6201     3.3596     2.1649 
   H  25    5.7713     6.7761     6.6691     0.6200     4.1077     2.9999 
   H  26    5.5568     6.7608     6.5198     0.6200     3.7750     3.3362 
   H  27    2.8971     1.4157     1.8698     7.7253     4.6913     5.4720 
   H  28    3.2095     1.4158     2.3302     7.4751     4.8062     5.0008 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    1.7531     0.0000 
   H  21    3.7142     3.3093     0.0000 
   H  22    4.0334     2.8788     1.6658     0.0000 
   H  23    4.5539     5.7601     4.3757     5.9410     0.0000 
   H  24    3.7798     5.3444     5.0495     6.3667     1.7478     0.0000 
   H  25    4.6200     6.2132     5.8341     7.2042     2.0033     0.8768 
   H  26    4.9204     6.3822     5.5282     7.0113     1.3126     1.2400 
   H  27    4.1674     2.4984     3.3139     1.7749     7.2446     7.3179 
   H  28    3.5278     1.7749     3.7460     2.4984     7.1899     7.0062 

              H  25      H  26      H  27      H  28
              --------------------------------------------
   H  25    0.0000 
   H  26    0.8768     0.0000 
   H  27    8.1908     8.1595     0.0000 
   H  28    7.8822     7.9647     1.0739     0.0000 



ATOMIC CHARGES
   S   1    0.0581836718
   O   2   -0.1530581446
   O   3   -0.1530581446
   N   4   -0.1930188331
   N   5   -0.3579440990
   C   6   -0.0159209309
   C   7    0.1058255500
   C   8   -0.0160363749
   C   9   -0.0276326344
   C  10   -0.0347602306
   C  11   -0.0521246765
   C  12   -0.0333282611
   C  13   -0.0522390031
   C  14    0.0251348232
   C  15   -0.0404566528
   C  16    0.0058672996
   H  17    0.0643047079
   H  18    0.0637158781
   H  19    0.0624186124
   H  20    0.0641951336
   H  21    0.0624194517
   H  22    0.0636065742
   H  23    0.1476744403
   H  24    0.0405286739
   H  25    0.0405286739
   H  26    0.0405286739
   H  27    0.1423229105
   H  28    0.1423229105


BOND ANGLES
   2    1    3   O2  So2   O2    179.974
   2    1    4   O2  So2   N3     90.003
   2    1    7   O2  So2  Car     90.000
   3    1    4   O2  So2   N3     90.000
   3    1    7   O2  So2  Car     89.997
   4    1    7   N3  So2  Car    179.974
   1    4   16  So2   N3   C3    119.999
   1    4   23  So2   N3   HC    120.001
  16    4   23   C3   N3   HC    120.001
  14    5   27  Car  Npl   HC    119.990
  14    5   28  Car  Npl   HC    120.002
  27    5   28   HC  Npl   HC    120.008
   8    6    9  Car  Car  Car    120.001
   8    6   13  Car  Car  Car    120.879
   9    6   13  Car  Car  Car    119.120
   1    7    9  So2  Car  Car    120.001
   1    7   10  So2  Car  Car    119.998
   9    7   10  Car  Car  Car    120.001
   6    8   11  Car  Car  Car    120.001
   6    8   12  Car  Car  Car    120.884
  11    8   12  Car  Car  Car    119.116
   6    9    7  Car  Car  Car    119.999
   6    9   17  Car  Car   HC    120.001
   7    9   17  Car  Car   HC    120.001
   7   10   11  Car  Car  Car    120.001
   7   10   18  Car  Car   HC    119.997
  11   10   18  Car  Car   HC    120.002
   8   11   10  Car  Car  Car    119.999
   8   11   19  Car  Car   HC    120.001
  10   11   19  Car  Car   HC    120.001
   8   12   14  Car  Car  Car    119.554
   8   12   20  Car  Car   HC    120.218
  14   12   20  Car  Car   HC    120.228
   6   13   15  Car  Car  Car    119.563
   6   13   21  Car  Car   HC    120.214
  15   13   21  Car  Car   HC    120.223
   5   14   12  Npl  Car  Car    120.213
   5   14   15  Npl  Car  Car    120.224
  12   14   15  Car  Car  Car    119.563
  13   15   14  Car  Car  Car    119.558
  13   15   22  Car  Car   HC    120.222
  14   15   22  Car  Car   HC    120.221
   4   16   24   N3   C3   HC     90.004
   4   16   25   N3   C3   HC    179.974
   4   16   26   N3   C3   HC     90.001
  24   16   25   HC   C3   HC     89.995
  24   16   26   HC   C3   HC    179.974
  25   16   26   HC   C3   HC     90.000


TORSION ANGLES
   2    1    4   16      0.026
   2    1    4   23    179.974
   3    1    4   16    179.974
   3    1    4   23      0.026
   7    1    4   16    179.974
   7    1    4   23      0.026
   2    1    7    9    179.974
   2    1    7   10      0.026
   3    1    7    9      0.026
   3    1    7   10    179.974
   4    1    7    9      0.026
   4    1    7   10    179.974
   1    4   16   24      0.026
   1    4   16   25      0.026
   1    4   16   26    179.974
  23    4   16   24    179.974
  23    4   16   25    179.974
  23    4   16   26      0.026
  27    5   14   12    179.974
  27    5   14   15      0.026
  28    5   14   12      0.026
  28    5   14   15    179.974
   9    6    8   11      0.026
   9    6    8   12    179.974
  13    6    8   11    179.974
  13    6    8   12      0.026
   8    6    9    7      0.026
   8    6    9   17    179.974
  13    6    9    7    179.974
  13    6    9   17      0.026
   8    6   13   15      0.026
   8    6   13   21    179.974
   9    6   13   15    179.974
   9    6   13   21      0.026
   1    7    9    6    179.974
   1    7    9   17      0.026
  10    7    9    6      0.026
  10    7    9   17    179.974
   1    7   10   11    179.974
   1    7   10   18      0.026
   9    7   10   11      0.026
   9    7   10   18    179.974
   6    8   11   10      0.026
   6    8   11   19    179.974
  12    8   11   10    179.974
  12    8   11   19      0.026
   6    8   12   14      0.026
   6    8   12   20    179.974
  11    8   12   14    179.974
  11    8   12   20      0.026
   7   10   11    8      0.026
   7   10   11   19    179.974
  18   10   11    8    179.974
  18   10   11   19      0.026
   8   12   14    5    179.974
   8   12   14   15      0.026
  20   12   14    5      0.026
  20   12   14   15    179.974
   6   13   15   14      0.026
   6   13   15   22    179.974
  21   13   15   14    179.974
  21   13   15   22      0.026
   5   14   15   13    179.974
   5   14   15   22      0.026
  12   14   15   13      0.026
  12   14   15   22    179.974