
 CHEMBL2207085

 38 40  0  0  0  0  0  0  0  0999 V2000
    4.2132    2.4909    3.2541 C   0  0  0  0  0
    3.5323    1.3824    2.6459 N   0  0  0  0  0
    2.9423    1.2887    1.4151 C   0  0  0  0  0
    2.4693    0.0633    1.2906 N   0  0  0  0  0
    2.7529   -0.5795    2.4701 N   0  0  0  0  0
    3.3992    0.2218    3.3041 N   0  0  0  0  0
    2.8691    2.3792    0.4088 C   0  0  0  0  0
    1.4412    2.7896    0.1180 C   0  0  0  0  0
    0.6548    2.1646   -0.8636 C   0  0  0  0  0
   -0.6821    2.5343   -1.0449 C   0  0  0  0  0
   -1.2375    3.5461   -0.2700 C   0  0  0  0  0
   -0.4749    4.1845    0.7009 C   0  0  0  0  0
    0.8538    3.8018    0.9013 C   0  0  0  0  0
   -2.8712    4.0163   -0.5273 Cl  0  0  0  0  0
    1.1761    1.1793   -1.7502 N   0  0  0  0  0
    1.9392    1.6958   -3.1707 S   0  0  0  0  0
    2.8776    2.7505   -2.8463 O   0  0  0  0  0
    2.3686    0.5072   -3.8736 O   0  0  0  0  0
    0.6057    2.4180   -4.0976 C   0  0  0  0  0
    0.4001    3.8011   -4.0293 C   0  0  0  0  0
   -0.6774    4.3741   -4.7048 C   0  0  0  0  0
   -1.5303    3.5680   -5.4694 C   0  0  0  0  0
   -1.2955    2.1898   -5.5595 C   0  0  0  0  0
   -0.2248    1.6094   -4.8754 C   0  0  0  0  0
   -2.8909    4.2086   -6.3186 Cl  0  0  0  0  0
   -0.9125    6.0770   -4.5359 Cl  0  0  0  0  0
    3.4660    3.2222    3.5714 H   0  0  0  0  0
    4.8974    2.9326    2.5258 H   0  0  0  0  0
    4.7851    2.1408    4.1175 H   0  0  0  0  0
    3.3743    2.0387   -0.4990 H   0  0  0  0  0
    3.4326    3.2635    0.7286 H   0  0  0  0  0
   -1.2923    2.0316   -1.7907 H   0  0  0  0  0
   -0.9095    4.9737    1.3095 H   0  0  0  0  0
    1.4278    4.3035    1.6775 H   0  0  0  0  0
    1.6206    0.3553   -1.3372 H   0  0  0  0  0
    1.0599    4.4259   -3.4288 H   0  0  0  0  0
   -1.9520    1.5611   -6.1581 H   0  0  0  0  0
   -0.0540    0.5362   -4.9433 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 15  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 19  1  0  0  0
 16 18  2  0  0  0
 16 17  2  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 37  1  0  0  0
 24 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2207085

>  <PubChem CID>
71214710

>  <Formula>
C15H12Cl3N5O2S

>  <Molecular Weight>
432.704000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C(=NN=N1)CC2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
CN1C(=NN=N1)CC2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C15H12Cl3N5O2S/c1-23-15(19-21-22-23)6-9-2-3-10(16)7-14(9)20-26(24,25)11-4-5-12(17)13(18)8-11/h2-5,7-8,20H,6H2,1H3

>  <InChI Key>
DLTXTHJGLDWETN-UHFFFAOYSA-N

