
 CHEMBL2207088

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.3578    2.2136    0.8828 C   0  0  0  0  0
    1.7385    2.0372    0.9838 C   0  0  0  0  0
    2.2742    0.7532    0.8582 C   0  0  0  0  0
    1.4489   -0.3544    0.6378 C   0  0  0  0  0
    0.0754   -0.1636    0.5329 C   0  0  0  0  0
   -0.4737    1.1135    0.6550 C   0  0  0  0  0
   -0.9528   -1.5127    0.2468 Cl  0  0  0  0  0
    4.0232    0.4920    0.9784 S   0  0  0  0  0
    4.6838    1.7767    1.0470 O   0  0  0  0  0
    4.2273   -0.5231    1.9893 O   0  0  0  0  0
    4.3486   -0.1492   -0.5653 N   0  0  0  0  0
    5.4957   -1.0080   -0.6442 C   0  0  0  0  0
    6.7845   -0.5360   -0.9629 C   0  0  0  0  0
    7.8508   -1.4571   -0.9634 C   0  0  0  0  0
    7.6389   -2.8034   -0.6562 C   0  0  0  0  0
    6.3601   -3.2463   -0.3376 C   0  0  0  0  0
    5.2927   -2.3554   -0.3242 C   0  0  0  0  0
    6.0988   -4.9036    0.0413 Cl  0  0  0  0  0
    7.0831    0.9086   -1.2961 C   0  0  0  0  0
    6.3934    1.3330   -2.5009 N   0  0  0  0  0
    6.7920    1.2051   -3.7976 C   0  0  0  0  0
    5.7317    1.7045   -4.5151 C   0  0  0  0  0
    4.7492    2.1112   -3.6572 N   0  0  0  0  0
    5.1667    1.8868   -2.4200 N   0  0  0  0  0
   -0.0726    3.2078    0.9796 H   0  0  0  0  0
    2.3816    2.8973    1.1591 H   0  0  0  0  0
    1.8753   -1.3502    0.5473 H   0  0  0  0  0
   -1.5482    1.2582    0.5737 H   0  0  0  0  0
    4.3726    0.6341   -1.2359 H   0  0  0  0  0
    8.8639   -1.1349   -1.1992 H   0  0  0  0  0
    8.4749   -3.4988   -0.6608 H   0  0  0  0  0
    4.2982   -2.7071   -0.0620 H   0  0  0  0  0
    8.1536    1.0651   -1.4752 H   0  0  0  0  0
    6.7976    1.5716   -0.4744 H   0  0  0  0  0
    7.7406    0.7792   -4.0877 H   0  0  0  0  0
    5.6175    1.7884   -5.5863 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 28  1  0  0  0
  8 11  1  0  0  0
  8 10  2  0  0  0
  8  9  2  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 19  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 32  1  0  0  0
 19 20  1  0  0  0
 19 33  1  0  0  0
 19 34  1  0  0  0
 20 21  1  0  0  0
 20 24  1  0  0  0
 21 22  2  0  0  0
 21 35  1  0  0  0
 22 23  1  0  0  0
 22 36  1  0  0  0
 23 24  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL2207088

>  <PubChem CID>
71452487

>  <Formula>
C15H12Cl2N4O2S

>  <Molecular Weight>
383.247000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C15H12Cl2N4O2S/c16-12-2-1-3-14(8-12)24(22,23)19-15-9-13(17)5-4-11(15)10-21-7-6-18-20-21/h1-9,19H,10H2

>  <InChI Key>
DVBHCMNIFLHUIM-UHFFFAOYSA-N

