
 CHEMBL2207100

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.7733    3.0426   -4.0527 C   0  0  0  0  0
    3.1253    3.2261   -2.7380 C   0  0  0  0  0
    2.5071    2.1960   -2.0903 N   0  0  0  0  0
    1.7978    1.4378   -2.9466 N   0  0  0  0  0
    1.9614    1.9496   -4.1598 N   0  0  0  0  0
    2.5312    1.8858   -0.6702 C   0  0  0  0  0
    3.5506    0.8122   -0.3569 C   0  0  0  0  0
    4.9205    1.0847   -0.5483 C   0  0  0  0  0
    5.8952    0.1105   -0.3067 C   0  0  0  0  0
    5.5132   -1.1519    0.1492 C   0  0  0  0  0
    4.1614   -1.4333    0.3597 C   0  0  0  0  0
    3.1850   -0.4642    0.0973 C   0  0  0  0  0
    1.8182   -0.7830    0.3918 N   0  0  0  0  0
    1.3508   -0.4380    1.9977 S   0  0  0  0  0
    2.0699   -1.3325    2.8768 O   0  0  0  0  0
    1.3647    0.9986    2.1787 O   0  0  0  0  0
   -0.3571   -0.9046    2.1342 C   0  0  0  0  0
   -1.5007   -0.1961    2.4585 C   0  0  0  0  0
   -2.6690   -1.0159    2.4334 C   0  0  0  0  0
   -2.3567   -2.3061    2.0916 C   0  0  0  0  0
   -0.7104   -2.5478    1.7905 S   0  0  0  0  0
   -3.4498   -3.6217    1.9469 Cl  0  0  0  0  0
    6.6570   -2.4034    0.4799 Cl  0  0  0  0  0
    7.5444    0.5368   -0.5923 Cl  0  0  0  0  0
    3.0533    3.6275   -4.9169 H   0  0  0  0  0
    3.7394    3.9585   -2.2366 H   0  0  0  0  0
    1.5089    1.6094   -0.3966 H   0  0  0  0  0
    2.7767    2.8052   -0.1261 H   0  0  0  0  0
    5.2357    2.0657   -0.9003 H   0  0  0  0  0
    3.8746   -2.4101    0.7430 H   0  0  0  0  0
    1.5920   -1.7604    0.1903 H   0  0  0  0  0
   -1.4900    0.8604    2.7021 H   0  0  0  0  0
   -3.6726   -0.6739    2.6551 H   0  0  0  0  0
  1  5  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  1  0  0  0
  3  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 17  1  0  0  0
 14 16  2  0  0  0
 14 15  2  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 19 20  2  0  0  0
 19 33  1  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2207100

>  <PubChem CID>
71454248

>  <Formula>
C13H9Cl3N4O2S2

>  <Molecular Weight>
423.711000

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

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CN(N=N1)CC2=CC(=C(C=C2NS(=O)(=O)C3=CC=C(S3)Cl)Cl)Cl

>  <Isomeric SMILES>
C1=CN(N=N1)CC2=CC(=C(C=C2NS(=O)(=O)C3=CC=C(S3)Cl)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C13H9Cl3N4O2S2/c14-9-5-8(7-20-4-3-17-19-20)11(6-10(9)15)18-24(21,22)13-2-1-12(16)23-13/h1-6,18H,7H2

>  <InChI Key>
DRHNPWMFAGWFPG-UHFFFAOYSA-N

