
 CHEMBL2207081

 36 38  0  0  0  0  0  0  0  0999 V2000
   -2.7133   -7.2851    4.5616 C   0  0  0  0  0
   -1.6442   -7.9446    5.1722 C   0  0  0  0  0
   -0.3597   -7.3876    5.1412 C   0  0  0  0  0
   -0.1441   -6.1612    4.4980 C   0  0  0  0  0
   -1.2103   -5.4955    3.8896 C   0  0  0  0  0
   -2.4870   -6.0656    3.9208 C   0  0  0  0  0
   -3.8193   -5.2076    3.1202 S   0  0  0  0  0
   -5.0202   -6.0027    3.2697 O   0  0  0  0  0
   -3.7627   -3.8277    3.5469 O   0  0  0  0  0
   -3.3290   -5.3159    1.5001 N   0  0  0  0  0
   -4.2095   -4.7263    0.5388 C   0  0  0  0  0
   -5.1815   -5.4761   -0.1547 C   0  0  0  0  0
   -6.0139   -4.7994   -1.0683 C   0  0  0  0  0
   -5.8885   -3.4235   -1.2752 C   0  0  0  0  0
   -4.9371   -2.7012   -0.5633 C   0  0  0  0  0
   -4.1036   -3.3443    0.3454 C   0  0  0  0  0
   -4.7933   -1.0050   -0.8099 Cl  0  0  0  0  0
   -5.4215   -6.9536    0.0707 C   0  0  0  0  0
   -4.2665   -7.7699   -0.2585 N   0  0  0  0  0
   -4.0003   -8.4375   -1.4160 C   0  0  0  0  0
   -2.7989   -9.0569   -1.1675 C   0  0  0  0  0
   -2.3839   -8.7597    0.1001 N   0  0  0  0  0
   -3.3014   -7.9858    0.6603 N   0  0  0  0  0
    1.4140   -5.4196    4.4166 Cl  0  0  0  0  0
    0.9133   -8.2626    5.9151 Cl  0  0  0  0  0
   -3.7059   -7.7308    4.5874 H   0  0  0  0  0
   -1.8168   -8.8968    5.6698 H   0  0  0  0  0
   -1.0501   -4.5418    3.3899 H   0  0  0  0  0
   -3.0230   -6.2742    1.2793 H   0  0  0  0  0
   -6.7829   -5.3359   -1.6224 H   0  0  0  0  0
   -6.5436   -2.9200   -1.9824 H   0  0  0  0  0
   -3.3660   -2.7719    0.9032 H   0  0  0  0  0
   -6.2485   -7.3176   -0.5508 H   0  0  0  0  0
   -5.6988   -7.1548    1.1091 H   0  0  0  0  0
   -4.6532   -8.4191   -2.2756 H   0  0  0  0  0
   -2.2175   -9.6940   -1.8190 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
 21 36  1  0  0  0
 22 23  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL2207081

>  <PubChem CID>
15985912

>  <Formula>
C15H11Cl3N4O2S

>  <Molecular Weight>
417.689000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC(=C(C=C1S(=O)(=O)NC2=C(C=CC(=C2)Cl)CN3C=CN=N3)Cl)Cl

>  <Isomeric SMILES>
C1=CC(=C(C=C1S(=O)(=O)NC2=C(C=CC(=C2)Cl)CN3C=CN=N3)Cl)Cl

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

>  <InChI Key>
YGWURLOZYUXZKA-UHFFFAOYSA-N

