
 MLS000530551

 37 38  0  0  0  0  0  0  0  0999 V2000
    4.3331   -1.5133    1.0336 C   0  0  0  0  0
    3.9892   -0.5534   -0.4302 S   0  0  0  0  0
    5.0817   -0.7481   -1.3596 O   0  0  0  0  0
    2.6273   -0.8519   -0.8266 O   0  0  0  0  0
    3.9980    1.0491    0.1187 N   0  0  0  0  0
    2.8556    1.4678    0.9610 C   0  0  0  0  0
    2.8413    2.9345    1.3511 C   0  0  0  0  0
    2.8733    3.2614    2.5358 O   0  0  0  0  0
    2.7421    3.8002    0.2740 N   0  0  0  0  0
    2.7509    5.2112    0.3218 C   0  0  0  0  0
    3.0591    5.9464    1.4697 C   0  0  0  0  0
    3.0463    7.3423    1.4354 C   0  0  0  0  0
    2.7234    8.0217    0.2642 C   0  0  0  0  0
    2.4221    7.2979   -0.8871 C   0  0  0  0  0
    2.4447    5.8996   -0.8599 C   0  0  0  0  0
    3.4412    8.2358    2.8539 Cl  0  0  0  0  0
    5.2780    1.7081    0.2253 C   0  0  0  0  0
    5.7851    2.2676   -0.9568 C   0  0  0  0  0
    7.0184    2.9207   -0.9686 C   0  0  0  0  0
    7.7660    3.0135    0.2013 C   0  0  0  0  0
    7.2834    2.4466    1.3812 C   0  0  0  0  0
    6.0472    1.7899    1.3982 C   0  0  0  0  0
    5.5439    1.1077    2.9022 Cl  0  0  0  0  0
    3.6136   -1.2670    1.8149 H   0  0  0  0  0
    5.3587   -1.3315    1.3539 H   0  0  0  0  0
    4.2241   -2.5682    0.7695 H   0  0  0  0  0
    2.8155    0.8728    1.8783 H   0  0  0  0  0
    1.9203    1.2866    0.4172 H   0  0  0  0  0
    2.6225    3.3738   -0.6382 H   0  0  0  0  0
    3.3295    5.4604    2.4012 H   0  0  0  0  0
    2.7075    9.1081    0.2444 H   0  0  0  0  0
    2.1667    7.8224   -1.8048 H   0  0  0  0  0
    2.2003    5.3605   -1.7721 H   0  0  0  0  0
    5.2212    2.1873   -1.8837 H   0  0  0  0  0
    7.3969    3.3493   -1.8938 H   0  0  0  0  0
    8.7282    3.5205    0.1944 H   0  0  0  0  0
    7.8796    2.5195    2.2880 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  5  1  0  0  0
  2  4  2  0  0  0
  2  3  2  0  0  0
  5 17  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
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 14 15  2  0  0  0
 14 32  1  0  0  0
 15 33  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
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 21 22  2  0  0  0
 21 37  1  0  0  0
 22 23  1  0  0  0
M  END

>  <Chemical Name>
MLS000530551

>  <PubChem CID>
1364364

>  <Formula>
C15H14Cl2N2O3S

>  <Molecular Weight>
373.248000

>  <IUPAC Name>
2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CS(=O)(=O)N(CC(=O)NC1=CC(=CC=C1)Cl)C2=CC=CC=C2Cl

>  <Isomeric SMILES>
CS(=O)(=O)N(CC(=O)NC1=CC(=CC=C1)Cl)C2=CC=CC=C2Cl

>  <InChI Std. ID>
InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)

>  <InChI Key>
UUYQFOSWDVZCAB-UHFFFAOYSA-N

