
 CHEMBL3605529

 41 43  0  0  0  0  0  0  0  0999 V2000
    4.9586   -0.8629   -1.2391 C   0  0  0  0  0
    4.5307    0.2507   -2.1783 C   0  0  0  0  0
    4.6974    1.5650   -1.5852 N   0  0  0  0  0
    5.8368    2.3306   -1.6687 C   0  0  0  0  0
    5.5092    3.5034   -0.9996 C   0  0  0  0  0
    6.3593    4.5408   -0.8459 N   0  0  0  0  0
    7.5740    4.3520   -1.4003 C   0  0  0  0  0
    7.9821    3.2149   -2.0883 C   0  0  0  0  0
    7.0967    2.1493   -2.2413 C   0  0  0  0  0
    4.2277    3.4676   -0.5376 N   0  0  0  0  0
    3.7482    2.2855   -0.8831 C   0  0  0  0  0
    2.3427    1.8067   -0.6111 C   0  0  0  0  0
    1.8409    2.3630    0.7181 C   0  0  0  0  0
    1.5313    2.2524   -1.7465 N   0  0  0  0  0
   -0.0781    1.8603   -1.8816 S   0  0  0  0  0
   -0.3973    1.9373   -3.2888 O   0  0  0  0  0
   -0.3123    0.6597   -1.1105 O   0  0  0  0  0
   -0.8755    3.2332   -1.0897 C   0  0  0  0  0
   -0.6704    4.5186   -1.6057 C   0  0  0  0  0
   -1.2725    5.6142   -0.9854 C   0  0  0  0  0
   -2.0745    5.4181    0.1391 C   0  0  0  0  0
   -2.2869    4.1342    0.6459 C   0  0  0  0  0
   -1.6892    3.0325    0.0285 C   0  0  0  0  0
   -2.8090    6.7704    0.9079 Cl  0  0  0  0  0
    4.8172   -1.8372   -1.7170 H   0  0  0  0  0
    4.3744   -0.8480   -0.3132 H   0  0  0  0  0
    6.0152   -0.7670   -0.9679 H   0  0  0  0  0
    3.4831    0.1321   -2.4716 H   0  0  0  0  0
    5.1207    0.2203   -3.1008 H   0  0  0  0  0
    8.2583    5.1879   -1.2735 H   0  0  0  0  0
    8.9844    3.1622   -2.5017 H   0  0  0  0  0
    7.3768    1.2465   -2.7701 H   0  0  0  0  0
    2.3373    0.7127   -0.5607 H   0  0  0  0  0
    1.7098    3.4505    0.6821 H   0  0  0  0  0
    2.5458    2.1385    1.5270 H   0  0  0  0  0
    0.8816    1.9191    0.9991 H   0  0  0  0  0
    1.9945    2.4716   -2.6255 H   0  0  0  0  0
   -0.0427    4.6717   -2.4808 H   0  0  0  0  0
   -1.1095    6.6146   -1.3790 H   0  0  0  0  0
   -2.9131    3.9872    1.5223 H   0  0  0  0  0
   -1.8548    2.0341    0.4271 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 18  1  0  0  0
 15 17  2  0  0  0
 15 16  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 40  1  0  0  0
 23 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3605529

>  <PubChem CID>
59177064

>  <Formula>
C16H17ClN4O2S

>  <Molecular Weight>
364.848000

>  <IUPAC Name>
4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN1C2=C(N=CC=C2)N=C1C(C)NS(=O)(=O)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CCN1C2=C(N=CC=C2)N=C1C(C)NS(=O)(=O)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C16H17ClN4O2S/c1-3-21-14-5-4-10-18-15(14)19-16(21)11(2)20-24(22,23)13-8-6-12(17)7-9-13/h4-11,20H,3H2,1-2H3

>  <InChI Key>
AGTWTNALRMIKJL-UHFFFAOYSA-N

