
 SCHEMBL343613

 47 49  0  0  0  0  0  0  0  0999 V2000
    4.2080    2.3274    0.7518 C   0  0  0  0  0
    3.8237    0.9176    1.0890 C   0  0  0  0  0
    2.9783    0.7295    2.1255 N   0  0  0  0  0
    2.6941   -0.5423    2.4768 C   0  0  0  0  0
    3.2094   -1.6578    1.8371 C   0  0  0  0  0
    4.0374   -1.4553    0.7361 C   0  0  0  0  0
    4.3656   -0.1417    0.3744 C   0  0  0  0  0
    4.6603   -2.5515   -0.0573 C   0  0  0  0  0
    5.6106   -2.2631   -0.7943 O   0  0  0  0  0
    4.2402   -3.9819   -0.0216 C   0  0  0  0  0
    5.2050   -4.9862   -0.2676 C   0  0  0  0  0
    4.8551   -6.3369   -0.2146 C   0  0  0  0  0
    3.5295   -6.7000    0.0176 C   0  0  0  0  0
    2.5620   -5.7115    0.1910 C   0  0  0  0  0
    2.9053   -4.3570    0.1623 C   0  0  0  0  0
    0.9201   -6.1630    0.4377 Cl  0  0  0  0  0
    6.5728   -4.6535   -0.5572 N   0  0  0  0  0
    7.6263   -4.7033    0.7726 S   0  0  0  0  0
    6.9951   -4.0304    1.8884 O   0  0  0  0  0
    8.1495   -6.0445    0.8956 O   0  0  0  0  0
    8.9260   -3.6456    0.1671 C   0  0  0  0  0
    8.8476   -2.2667    0.3963 C   0  0  0  0  0
    9.8135   -1.4227   -0.1506 C   0  0  0  0  0
   10.8574   -1.9688   -0.9045 C   0  0  0  0  0
   10.9457   -3.3489   -1.1201 C   0  0  0  0  0
    9.9779   -4.1940   -0.5736 C   0  0  0  0  0
   12.0337   -0.8807   -1.6809 S   0  0  0  0  0
   12.5916   -1.5839   -2.8193 O   0  0  0  0  0
   11.3862    0.4083   -1.8478 O   0  0  0  0  0
   13.3065   -0.7044   -0.4602 C   0  0  0  0  0
    3.5879    3.0436    1.3001 H   0  0  0  0  0
    4.0793    2.5152   -0.3184 H   0  0  0  0  0
    5.2549    2.5023    1.0224 H   0  0  0  0  0
    2.0221   -0.6427    3.3265 H   0  0  0  0  0
    2.9660   -2.6381    2.2247 H   0  0  0  0  0
    5.0469    0.0557   -0.4490 H   0  0  0  0  0
    5.6075   -7.1056   -0.3796 H   0  0  0  0  0
    3.2564   -7.7526    0.0410 H   0  0  0  0  0
    2.1186   -3.6149    0.2576 H   0  0  0  0  0
    6.6294   -3.7234   -1.0023 H   0  0  0  0  0
    8.0206   -1.8423    0.9624 H   0  0  0  0  0
    9.7286   -0.3467   -0.0083 H   0  0  0  0  0
   11.7435   -3.7691   -1.7302 H   0  0  0  0  0
   10.0296   -5.2663   -0.7554 H   0  0  0  0  0
   12.8767   -0.2694    0.4435 H   0  0  0  0  0
   14.0716   -0.0384   -0.8647 H   0  0  0  0  0
   13.7396   -1.6849   -0.2534 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 36  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 21  1  0  0  0
 18 20  2  0  0  0
 18 19  2  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 41  1  0  0  0
 23 24  2  0  0  0
 23 42  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 43  1  0  0  0
 26 44  1  0  0  0
 27 30  1  0  0  0
 27 29  2  0  0  0
 27 28  2  0  0  0
 30 45  1  0  0  0
 30 46  1  0  0  0
 30 47  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL343613

>  <PubChem CID>
10253911

>  <Formula>
C20H17ClN2O5S2

>  <Molecular Weight>
464.935000

>  <IUPAC Name>
N-[4-chloro-2-(2-methylpyridine-4-carbonyl)phenyl]-4-methylsulfonylbenzenesulfonamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=NC=CC(=C1)C(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

>  <Isomeric SMILES>
CC1=NC=CC(=C1)C(=O)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

>  <InChI Std. ID>
InChI=1S/C20H17ClN2O5S2/c1-13-11-14(9-10-22-13)20(24)18-12-15(21)3-8-19(18)23-30(27,28)17-6-4-16(5-7-17)29(2,25)26/h3-12,23H,1-2H3

>  <InChI Key>
HTNDACHVFIJNRL-UHFFFAOYSA-N

