
 CHEMBL3658347

 41 43  0  0  0  0  0  0  0  0999 V2000
   -0.1669    1.3545    1.6775 C   0  0  0  0  0
   -0.3651    1.1071    3.0336 C   0  0  0  0  0
    0.6463    0.5149    3.7885 C   0  0  0  0  0
    1.8538    0.1717    3.1792 C   0  0  0  0  0
    2.0731    0.4133    1.8189 C   0  0  0  0  0
    1.0450    1.0142    1.0748 C   0  0  0  0  0
    3.3863    0.0774    1.1612 C   0  0  0  0  0
    3.1908   -1.3330    0.0746 S   0  0  0  0  0
    2.8342   -2.5065    0.8578 O   0  0  0  0  0
    2.4140   -0.9652   -1.0978 O   0  0  0  0  0
    4.8667   -1.5995   -0.4953 C   0  0  0  0  0
    5.5245   -0.4537   -0.8152 N   0  0  0  0  0
    6.8275   -0.5955   -1.1504 C   0  0  0  0  0
    7.4877   -1.8198   -1.1815 C   0  0  0  0  0
    6.7771   -2.9770   -0.8485 C   0  0  0  0  0
    5.4326   -2.8678   -0.4916 C   0  0  0  0  0
    8.9413   -1.8276   -1.4408 C   0  0  0  0  0
    9.6036   -0.9179   -0.9566 O   0  0  0  0  0
    9.4028   -2.8417   -2.2418 N   0  0  0  0  0
   10.7413   -3.0748   -2.5732 C   0  0  0  0  0
   10.9117   -3.8630   -3.6573 N   0  0  0  0  0
   12.1895   -4.0944   -4.0526 C   0  0  0  0  0
   13.3007   -3.6077   -3.3893 C   0  0  0  0  0
   13.1124   -2.8405   -2.2548 C   0  0  0  0  0
   11.8103   -2.5642   -1.8399 C   0  0  0  0  0
   14.5357   -3.8752   -3.8300 F   0  0  0  0  0
    2.8535   -0.3956    3.9176 O   0  0  0  0  0
   -0.9551    1.8129    1.0853 H   0  0  0  0  0
   -1.3086    1.3765    3.5013 H   0  0  0  0  0
    0.4768    0.3339    4.8455 H   0  0  0  0  0
    1.1787    1.2182    0.0132 H   0  0  0  0  0
    4.1616   -0.1781    1.8900 H   0  0  0  0  0
    3.7336    0.9314    0.5724 H   0  0  0  0  0
    7.3478    0.3309   -1.3879 H   0  0  0  0  0
    7.2683   -3.9456   -0.8086 H   0  0  0  0  0
    4.8594   -3.7391   -0.1889 H   0  0  0  0  0
    8.7583   -3.3771   -2.8066 H   0  0  0  0  0
   12.3045   -4.6975   -4.9476 H   0  0  0  0  0
   13.9648   -2.4585   -1.7028 H   0  0  0  0  0
   11.6610   -1.9712   -0.9444 H   0  0  0  0  0
    2.5278   -0.5372    4.8226 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 11  1  0  0  0
  8 10  2  0  0  0
  8  9  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 36  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 38  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 39  1  0  0  0
 25 40  1  0  0  0
 27 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3658347

>  <PubChem CID>
91937340

>  <Formula>
C18H14FN3O4S

>  <Molecular Weight>
387.385000

>  <IUPAC Name>
N-(5-fluoropyridin-2-yl)-6-[(2-hydroxyphenyl)methylsulfonyl]pyridine-3-carboxamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC=C(C(=C1)CS(=O)(=O)C2=NC=C(C=C2)C(=O)NC3=NC=C(C=C3)F)O

>  <Isomeric SMILES>
C1=CC=C(C(=C1)CS(=O)(=O)C2=NC=C(C=C2)C(=O)NC3=NC=C(C=C3)F)O

>  <InChI Std. ID>
InChI=1S/C18H14FN3O4S/c19-14-6-7-16(20-10-14)22-18(24)12-5-8-17(21-9-12)27(25,26)11-13-3-1-2-4-15(13)23/h1-10,23H,11H2,(H,20,22,24)

>  <InChI Key>
AONVBBAATUPASM-UHFFFAOYSA-N

