
 CHEMBL2208408

 37 38  0  0  0  0  0  0  0  0999 V2000
    3.0735    0.9831   -2.4758 C   0  0  0  0  0
    4.3923   -0.0160   -1.8223 S   0  0  0  0  0
    3.8562   -1.3481   -1.6005 O   0  0  0  0  0
    5.5554    0.1860   -2.6561 O   0  0  0  0  0
    4.6403    0.6571   -0.3124 N   0  0  0  0  0
    3.7127    0.3860    0.8020 C   0  0  0  0  0
    4.1676   -0.7510    1.7103 C   0  0  0  0  0
    4.2919   -0.5637    2.9205 O   0  0  0  0  0
    4.3603   -1.9456    1.0430 N   0  0  0  0  0
    4.8174   -3.1710    1.5625 C   0  0  0  0  0
    4.9832   -3.4340    2.9216 C   0  0  0  0  0
    5.4543   -4.6815    3.3450 C   0  0  0  0  0
    5.7692   -5.6691    2.4133 C   0  0  0  0  0
    5.6054   -5.4148    1.0548 C   0  0  0  0  0
    5.1250   -4.1739    0.6329 C   0  0  0  0  0
    5.6968    1.6108   -0.1323 C   0  0  0  0  0
    5.4188    2.9678   -0.3292 C   0  0  0  0  0
    6.4177    3.9256   -0.1377 C   0  0  0  0  0
    7.6942    3.5345    0.2641 C   0  0  0  0  0
    7.9804    2.1833    0.4597 C   0  0  0  0  0
    6.9899    1.2196    0.2532 C   0  0  0  0  0
    7.4168   -0.4363    0.4875 Cl  0  0  0  0  0
    3.4419    1.9975   -2.6437 H   0  0  0  0  0
    2.2329    0.9796   -1.7803 H   0  0  0  0  0
    2.7614    0.5437   -3.4252 H   0  0  0  0  0
    2.7128    0.1409    0.4266 H   0  0  0  0  0
    3.5898    1.2891    1.4122 H   0  0  0  0  0
    4.2505   -1.9221    0.0284 H   0  0  0  0  0
    4.7486   -2.6918    3.6775 H   0  0  0  0  0
    5.5782   -4.8772    4.4070 H   0  0  0  0  0
    6.1441   -6.6331    2.7459 H   0  0  0  0  0
    5.8564   -6.1766    0.3217 H   0  0  0  0  0
    5.0138   -3.9921   -0.4340 H   0  0  0  0  0
    4.4283    3.2932   -0.6331 H   0  0  0  0  0
    6.2012    4.9793   -0.2986 H   0  0  0  0  0
    8.4696    4.2806    0.4229 H   0  0  0  0  0
    8.9781    1.8846    0.7722 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  5  1  0  0  0
  2  4  2  0  0  0
  2  3  2  0  0  0
  5 16  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 20 21  2  0  0  0
 20 37  1  0  0  0
 21 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2208408

>  <PubChem CID>
4384110

>  <Formula>
C15H15ClN2O3S

>  <Molecular Weight>
338.806000

>  <IUPAC Name>
2-(2-chloro-N-methylsulfonylanilino)-N-phenylacetamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C15H15ClN2O3S/c1-22(20,21)18(14-10-6-5-9-13(14)16)11-15(19)17-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)

>  <InChI Key>
ALGXISBPUKJBRP-UHFFFAOYSA-N

