
 CHEMBL2207086

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.4689   -1.0695   -1.0897 C   0  0  0  0  0
    0.7645    0.2939   -1.1393 C   0  0  0  0  0
    1.8335    0.7490   -1.9109 C   0  0  0  0  0
    2.6072   -0.1725   -2.6239 C   0  0  0  0  0
    2.2991   -1.5361   -2.5974 C   0  0  0  0  0
    1.2324   -1.9831   -1.8186 C   0  0  0  0  0
    3.9507    0.4082   -3.6282 S   0  0  0  0  0
    4.1841   -0.5675   -4.6718 O   0  0  0  0  0
    3.6958    1.7958   -3.9501 O   0  0  0  0  0
    5.2727    0.4078   -2.5800 N   0  0  0  0  0
    5.7109   -0.8035   -1.9748 C   0  0  0  0  0
    6.6315   -1.6479   -2.6206 C   0  0  0  0  0
    7.0020   -2.8475   -1.9820 C   0  0  0  0  0
    6.4806   -3.1863   -0.7325 C   0  0  0  0  0
    5.5852   -2.3278   -0.1043 C   0  0  0  0  0
    5.2011   -1.1373   -0.7158 C   0  0  0  0  0
    4.9429   -2.7413    1.4371 Cl  0  0  0  0  0
    7.2688   -1.3148   -3.9524 C   0  0  0  0  0
    7.9983   -0.0588   -3.9288 N   0  0  0  0  0
    7.7700    1.0587   -4.6781 C   0  0  0  0  0
    8.7694    1.9187   -4.2957 C   0  0  0  0  0
    9.5669    1.3098   -3.3686 N   0  0  0  0  0
    9.0965    0.0865   -3.1615 N   0  0  0  0  0
   -0.3673   -1.4209   -0.4889 H   0  0  0  0  0
    0.1541    1.0014   -0.5827 H   0  0  0  0  0
    2.0471    1.8147   -1.9573 H   0  0  0  0  0
    2.8833   -2.2518   -3.1718 H   0  0  0  0  0
    0.9898   -3.0428   -1.7839 H   0  0  0  0  0
    5.3382    1.2623   -2.0248 H   0  0  0  0  0
    7.7201   -3.5216   -2.4475 H   0  0  0  0  0
    6.7874   -4.1125   -0.2525 H   0  0  0  0  0
    4.5012   -0.4788   -0.2089 H   0  0  0  0  0
    6.5225   -1.2723   -4.7485 H   0  0  0  0  0
    7.9973   -2.0805   -4.2465 H   0  0  0  0  0
    6.9495    1.1432   -5.3756 H   0  0  0  0  0
    8.9602    2.9268   -4.6336 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7 10  1  0  0  0
  7  9  2  0  0  0
  7  8  2  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 18  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 32  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 18 34  1  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 20 21  2  0  0  0
 20 35  1  0  0  0
 21 22  1  0  0  0
 21 36  1  0  0  0
 22 23  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL2207086

>  <PubChem CID>
71463165

>  <Formula>
C15H13ClN4O2S

>  <Molecular Weight>
348.805000

>  <IUPAC Name>
N-[5-chloro-2-(triazol-1-ylmethyl)phenyl]benzenesulfonamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)CN3C=CN=N3

>  <Isomeric SMILES>
C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)CN3C=CN=N3

>  <InChI Std. ID>
InChI=1S/C15H13ClN4O2S/c16-13-7-6-12(11-20-9-8-17-19-20)15(10-13)18-23(21,22)14-4-2-1-3-5-14/h1-10,18H,11H2

>  <InChI Key>
CQDVOKKXYDPPOX-UHFFFAOYSA-N

