
 CHEMBL3342790

 36 38  0  0  0  0  0  0  0  0999 V2000
    5.4774    0.6783    4.1641 C   0  0  0  0  0
    5.1466    2.0099    4.3982 C   0  0  0  0  0
    4.5133    2.7204    3.3926 C   0  0  0  0  0
    4.1993    2.1962    2.1849 N   0  0  0  0  0
    4.5550    0.8880    1.9743 C   0  0  0  0  0
    5.1774    0.0988    2.9341 C   0  0  0  0  0
    4.2998    0.3533    0.6794 N   0  0  0  0  0
    3.8166    1.0922   -0.3898 C   0  0  0  0  0
    3.7735    0.2513   -1.4733 C   0  0  0  0  0
    4.2334   -0.9829   -0.9713 C   0  0  0  0  0
    4.5610   -0.9301    0.3217 N   0  0  0  0  0
    3.4651    2.4378   -0.3329 N   0  0  0  0  0
    4.3631    3.5927   -1.0611 S   0  0  0  0  0
    3.8426    4.8954   -0.7000 O   0  0  0  0  0
    5.7718    3.3015   -0.8803 O   0  0  0  0  0
    4.0120    3.3914   -2.7949 C   0  0  0  0  0
    5.0623    3.1584   -3.6886 C   0  0  0  0  0
    4.7843    2.9769   -5.0431 C   0  0  0  0  0
    3.4620    3.0271   -5.5116 C   0  0  0  0  0
    2.4203    3.2788   -4.5997 C   0  0  0  0  0
    2.6903    3.4634   -3.2423 C   0  0  0  0  0
    3.1478    2.8075   -6.9757 C   0  0  0  0  0
    2.3395    1.7287   -7.1645 F   0  0  0  0  0
    2.5038    3.8667   -7.5339 F   0  0  0  0  0
    4.2523    2.5873   -7.7394 F   0  0  0  0  0
    5.9795    0.0968    4.9340 H   0  0  0  0  0
    5.3830    2.4837    5.3458 H   0  0  0  0  0
    4.2421    3.7637    3.5393 H   0  0  0  0  0
    5.4514   -0.9345    2.7388 H   0  0  0  0  0
    3.4358    0.4618   -2.4776 H   0  0  0  0  0
    4.3422   -1.9243   -1.4994 H   0  0  0  0  0
    3.2474    2.7563    0.6116 H   0  0  0  0  0
    6.0966    3.1212   -3.3487 H   0  0  0  0  0
    5.6072    2.7973   -5.7357 H   0  0  0  0  0
    1.3908    3.3349   -4.9556 H   0  0  0  0  0
    1.8735    3.6686   -2.5534 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 28  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 16  1  0  0  0
 13 15  2  0  0  0
 13 14  2  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 18 34  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 35  1  0  0  0
 21 36  1  0  0  0
 22 25  1  0  0  0
 22 24  1  0  0  0
 22 23  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3342790

>  <PubChem CID>
76685194

>  <Formula>
C15H11F3N4O2S

>  <Molecular Weight>
368.334000

>  <IUPAC Name>
N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC=NC(=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

>  <Isomeric SMILES>
C1=CC=NC(=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C15H11F3N4O2S/c16-15(17,18)11-4-6-12(7-5-11)25(23,24)21-14-8-10-20-22(14)13-3-1-2-9-19-13/h1-10,21H

>  <InChI Key>
BELMOVXJXHEYJT-UHFFFAOYSA-N

