
 CHEMBL470693

 46 48  0  0  0  0  0  0  0  0999 V2000
   14.7839   -6.0621   -0.8177 C   0  0  0  0  0
   13.6444   -5.3049   -0.1838 C   0  0  0  0  0
   12.5360   -5.8188   -0.0814 O   0  0  0  0  0
   14.0110   -4.0287    0.2071 N   0  0  0  0  0
   13.1750   -3.0320    0.7492 C   0  0  0  0  0
   11.7997   -3.1935    0.9355 C   0  0  0  0  0
   11.0170   -2.1346    1.3954 C   0  0  0  0  0
   11.6138   -0.9058    1.6741 C   0  0  0  0  0
   12.9920   -0.7405    1.5483 C   0  0  0  0  0
   13.7670   -1.8026    1.0747 C   0  0  0  0  0
   10.5988    0.4533    2.1695 S   0  0  0  0  0
    9.4226   -0.0871    2.8214 O   0  0  0  0  0
   11.4244    1.4481    2.8144 O   0  0  0  0  0
   10.0493    1.0285    0.6595 N   0  0  0  0  0
   10.7064    2.1917    0.1457 C   0  0  0  0  0
   10.2748    3.4318    0.6404 C   0  0  0  0  0
   10.9551    4.6051    0.3145 C   0  0  0  0  0
   12.0762    4.5505   -0.5064 C   0  0  0  0  0
   12.5022    3.3248   -1.0186 C   0  0  0  0  0
   11.8149    2.1364   -0.7130 C   0  0  0  0  0
   12.3715    0.9017   -1.3206 C   0  0  0  0  0
   13.5982    0.7840   -1.3357 O   0  0  0  0  0
   11.5483   -0.1634   -1.9614 C   0  0  0  0  0
   12.1763   -1.3854   -2.2471 C   0  0  0  0  0
   11.4647   -2.4205   -2.8484 C   0  0  0  0  0
   10.1232   -2.2537   -3.1770 C   0  0  0  0  0
    9.4998   -1.0300   -2.9313 C   0  0  0  0  0
   10.2115    0.0172   -2.3392 C   0  0  0  0  0
   12.2535   -3.9068   -3.2071 Cl  0  0  0  0  0
   15.7359   -5.8129   -0.3416 H   0  0  0  0  0
   14.8293   -5.8210   -1.8828 H   0  0  0  0  0
   14.6135   -7.1356   -0.6951 H   0  0  0  0  0
   14.9776   -3.7657    0.0608 H   0  0  0  0  0
   11.2955   -4.1249    0.6991 H   0  0  0  0  0
    9.9436   -2.2745    1.5089 H   0  0  0  0  0
   13.4650    0.2153    1.7666 H   0  0  0  0  0
   14.8329   -1.6383    0.9331 H   0  0  0  0  0
    9.0293    1.0720    0.7029 H   0  0  0  0  0
    9.4331    3.4905    1.3274 H   0  0  0  0  0
   10.6297    5.5558    0.7304 H   0  0  0  0  0
   12.6304    5.4578   -0.7358 H   0  0  0  0  0
   13.3894    3.2948   -1.6501 H   0  0  0  0  0
   13.2246   -1.5312   -1.9973 H   0  0  0  0  0
    9.5659   -3.0654   -3.6384 H   0  0  0  0  0
    8.4585   -0.8913   -3.2123 H   0  0  0  0  0
    9.7076    0.9676   -2.1926 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 37  1  0  0  0
 11 14  1  0  0  0
 11 13  2  0  0  0
 11 12  2  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 43  1  0  0  0
 25 26  2  0  0  0
 25 29  1  0  0  0
 26 27  1  0  0  0
 26 44  1  0  0  0
 27 28  2  0  0  0
 27 45  1  0  0  0
 28 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL470693

>  <PubChem CID>
24895114

>  <Formula>
C21H17ClN2O4S

>  <Molecular Weight>
428.887000

>  <IUPAC Name>
N-[4-[[2-(3-chlorobenzoyl)phenyl]sulfamoyl]phenyl]acetamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)C3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)C3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C21H17ClN2O4S/c1-14(25)23-17-9-11-18(12-10-17)29(27,28)24-20-8-3-2-7-19(20)21(26)15-5-4-6-16(22)13-15/h2-13,24H,1H3,(H,23,25)

>  <InChI Key>
AVEOUUKYCPBIQO-UHFFFAOYSA-N

