
 CHEMBL604583

 42 44  0  0  0  0  0  0  0  0999 V2000
    5.5987    1.5812    5.1303 C   0  0  0  0  0
    5.7075    1.3387    3.6533 C   0  0  0  0  0
    6.7900    1.8662    2.9355 C   0  0  0  0  0
    6.8957    1.6579    1.5598 C   0  0  0  0  0
    5.9212    0.9023    0.9029 C   0  0  0  0  0
    4.8094    0.4171    1.5960 C   0  0  0  0  0
    4.7071    0.6344    2.9704 C   0  0  0  0  0
    6.0741    0.5949   -0.8458 S   0  0  0  0  0
    4.7428    0.3201   -1.3485 O   0  0  0  0  0
    6.8711    1.6675   -1.4025 O   0  0  0  0  0
    6.9760   -0.8643   -0.9085 N   0  0  0  0  0
    6.2475   -2.0885   -0.5166 C   0  0  0  0  0
    8.3761   -0.7758   -0.5613 C   0  0  0  0  0
    8.7579   -1.0372    0.7672 C   0  0  0  0  0
   10.0739   -0.8443    1.1911 C   0  0  0  0  0
   11.0299   -0.3828    0.2950 C   0  0  0  0  0
   10.6703   -0.1226   -1.0271 C   0  0  0  0  0
    9.3487   -0.3199   -1.4738 C   0  0  0  0  0
    9.0900    0.0211   -2.9044 C   0  0  0  0  0
    9.7530    0.9238   -3.4135 O   0  0  0  0  0
    8.1133   -0.7204   -3.7020 C   0  0  0  0  0
    7.8568   -2.0767   -3.6108 C   0  0  0  0  0
    6.6301   -2.5963   -4.6866 S   0  0  0  0  0
    6.4675   -1.0289   -5.3447 C   0  0  0  0  0
    7.3265   -0.1326   -4.7506 C   0  0  0  0  0
    5.2657    2.6061    5.3196 H   0  0  0  0  0
    6.5676    1.4218    5.6153 H   0  0  0  0  0
    4.8853    0.8914    5.5939 H   0  0  0  0  0
    7.5570    2.4449    3.4461 H   0  0  0  0  0
    7.7410    2.0731    1.0149 H   0  0  0  0  0
    4.0232   -0.1283    1.0780 H   0  0  0  0  0
    3.8405    0.2518    3.5064 H   0  0  0  0  0
    5.3780   -2.2349   -1.1640 H   0  0  0  0  0
    5.9212   -2.0521    0.5257 H   0  0  0  0  0
    6.8869   -2.9696   -0.6415 H   0  0  0  0  0
    8.0263   -1.3626    1.5031 H   0  0  0  0  0
   10.3454   -1.0336    2.2272 H   0  0  0  0  0
   12.0527   -0.2121    0.6235 H   0  0  0  0  0
   11.4282    0.2513   -1.7154 H   0  0  0  0  0
    8.3159   -2.7996   -2.9515 H   0  0  0  0  0
    5.7554   -0.8354   -6.1352 H   0  0  0  0  0
    7.3820    0.9147   -5.0273 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  8 11  1  0  0  0
  8 10  2  0  0  0
  8  9  2  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
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 15 16  2  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
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 17 39  1  0  0  0
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 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 22 40  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 41  1  0  0  0
 25 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL604583

>  <PubChem CID>
46225413

>  <Formula>
C19H17NO3S2

>  <Molecular Weight>
371.469000

>  <IUPAC Name>
N,4-dimethyl-N-[2-(thiophene-3-carbonyl)phenyl]benzenesulfonamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)C3=CSC=C3

>  <Isomeric SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)C3=CSC=C3

>  <InChI Std. ID>
InChI=1S/C19H17NO3S2/c1-14-7-9-16(10-8-14)25(22,23)20(2)18-6-4-3-5-17(18)19(21)15-11-12-24-13-15/h3-13H,1-2H3

>  <InChI Key>
UCDRKLUVICISKI-UHFFFAOYSA-N

