
 CHEMBL2207082

 36 38  0  0  0  0  0  0  0  0999 V2000
   -1.4922   -1.7652    2.5062 C   0  0  0  0  0
   -0.2841   -1.1568    2.8538 C   0  0  0  0  0
    0.7296   -1.9009    3.4688 C   0  0  0  0  0
    0.5293   -3.2603    3.7443 C   0  0  0  0  0
   -0.6784   -3.8742    3.3999 C   0  0  0  0  0
   -1.6775   -3.1246    2.7709 C   0  0  0  0  0
   -3.2193   -3.8998    2.3516 S   0  0  0  0  0
   -3.4045   -5.0270    3.2416 O   0  0  0  0  0
   -4.2173   -2.8647    2.2127 O   0  0  0  0  0
   -2.8399   -4.5512    0.8267 N   0  0  0  0  0
   -3.9639   -4.7827   -0.0348 C   0  0  0  0  0
   -4.7165   -5.9742   -0.0291 C   0  0  0  0  0
   -5.8167   -6.0693   -0.9060 C   0  0  0  0  0
   -6.1640   -5.0110   -1.7477 C   0  0  0  0  0
   -5.4226   -3.8363   -1.7191 C   0  0  0  0  0
   -4.3302   -3.7174   -0.8664 C   0  0  0  0  0
   -5.8603   -2.5244   -2.7410 Cl  0  0  0  0  0
   -4.4502   -7.1506    0.8833 C   0  0  0  0  0
   -3.1430   -7.7437    0.6986 N   0  0  0  0  0
   -2.3055   -8.1545    1.6904 C   0  0  0  0  0
   -1.1994   -8.6178    1.1575 N   0  0  0  0  0
   -1.3322   -8.5456   -0.2106 N   0  0  0  0  0
   -2.5150   -8.0392   -0.4715 C   0  0  0  0  0
    1.7328   -4.2361    4.5081 Cl  0  0  0  0  0
    2.1987   -1.0827    3.8634 Cl  0  0  0  0  0
   -2.2764   -1.1750    2.0350 H   0  0  0  0  0
   -0.1379   -0.0987    2.6454 H   0  0  0  0  0
   -0.8341   -4.9276    3.6243 H   0  0  0  0  0
   -2.2326   -5.3660    0.9407 H   0  0  0  0  0
   -6.4267   -6.9719   -0.9363 H   0  0  0  0  0
   -7.0196   -5.1061   -2.4122 H   0  0  0  0  0
   -3.7612   -2.7911   -0.8450 H   0  0  0  0  0
   -5.1706   -7.9597    0.7124 H   0  0  0  0  0
   -4.5590   -6.8465    1.9279 H   0  0  0  0  0
   -2.5306   -8.0936    2.7469 H   0  0  0  0  0
   -2.9292   -7.8637   -1.4550 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  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
 22 23  2  0  0  0
 23 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2207082

>  <PubChem CID>
71461438

>  <Formula>
C15H11Cl3N4O2S

>  <Molecular Weight>
417.689000

>  <IUPAC Name>
3,4-dichloro-N-[5-chloro-2-(1,2,4-triazol-4-ylmethyl)phenyl]benzenesulfonamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC(=C(C=C1S(=O)(=O)NC2=C(C=CC(=C2)Cl)CN3C=NN=C3)Cl)Cl

>  <Isomeric SMILES>
C1=CC(=C(C=C1S(=O)(=O)NC2=C(C=CC(=C2)Cl)CN3C=NN=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C15H11Cl3N4O2S/c16-11-2-1-10(7-22-8-19-20-9-22)15(5-11)21-25(23,24)12-3-4-13(17)14(18)6-12/h1-6,8-9,21H,7H2

>  <InChI Key>
AGJAKUVKWSUXBI-UHFFFAOYSA-N

