
 CHEMBL516783

 46 48  0  0  0  0  0  0  0  0999 V2000
    2.9840   -2.9510   -1.4147 C   0  0  0  0  0
    4.3104   -2.2631   -1.6350 C   0  0  0  0  0
    5.2235   -2.8539   -2.1995 O   0  0  0  0  0
    4.3342   -0.9687   -1.1470 N   0  0  0  0  0
    5.3974   -0.0446   -1.2157 C   0  0  0  0  0
    6.6260   -0.3120   -1.8246 C   0  0  0  0  0
    7.6273    0.6641   -1.8620 C   0  0  0  0  0
    7.4060    1.9099   -1.2719 C   0  0  0  0  0
    6.1838    2.1972   -0.6664 C   0  0  0  0  0
    5.1856    1.2177   -0.6393 C   0  0  0  0  0
    8.6855    3.1430   -1.3280 S   0  0  0  0  0
    9.4528    2.9211   -2.5365 O   0  0  0  0  0
    8.0815    4.4312   -1.0490 O   0  0  0  0  0
    9.6251    2.6976    0.0308 N   0  0  0  0  0
   11.0003    3.1243   -0.0583 C   0  0  0  0  0
   11.2888    4.4882    0.0440 C   0  0  0  0  0
   12.5915    4.9453   -0.1552 C   0  0  0  0  0
   13.6031    4.0469   -0.4906 C   0  0  0  0  0
   13.3261    2.6808   -0.5846 C   0  0  0  0  0
   12.0346    2.2028   -0.3214 C   0  0  0  0  0
   11.7378    0.7416   -0.3158 C   0  0  0  0  0
   10.5951    0.3625   -0.5763 O   0  0  0  0  0
   12.7277   -0.2898    0.0895 C   0  0  0  0  0
   13.7473   -0.0280    1.0150 C   0  0  0  0  0
   14.6160   -1.0504    1.4037 C   0  0  0  0  0
   14.4443   -2.3326    0.8932 C   0  0  0  0  0
   13.4196   -2.6156   -0.0013 C   0  0  0  0  0
   12.5586   -1.5936   -0.4038 C   0  0  0  0  0
   15.2695   -3.3119    1.2835 F   0  0  0  0  0
    2.2763   -2.3258   -0.8637 H   0  0  0  0  0
    3.1502   -3.8687   -0.8438 H   0  0  0  0  0
    2.5464   -3.1953   -2.3867 H   0  0  0  0  0
    3.4950   -0.6364   -0.6899 H   0  0  0  0  0
    6.8403   -1.2712   -2.2857 H   0  0  0  0  0
    8.5761    0.4362   -2.3453 H   0  0  0  0  0
    6.0005    3.1708   -0.2172 H   0  0  0  0  0
    4.2391    1.4599   -0.1620 H   0  0  0  0  0
    9.5602    1.6721    0.1232 H   0  0  0  0  0
   10.4975    5.2014    0.2657 H   0  0  0  0  0
   12.8094    6.0082   -0.0773 H   0  0  0  0  0
   14.6091    4.4131   -0.6845 H   0  0  0  0  0
   14.1284    2.0072   -0.8750 H   0  0  0  0  0
   13.8680    0.9532    1.4660 H   0  0  0  0  0
   15.4137   -0.8601    2.1152 H   0  0  0  0  0
   13.2885   -3.6280   -0.3705 H   0  0  0  0  0
   11.7443   -1.8203   -1.0908 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
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 11 12  2  0  0  0
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 15 16  2  0  0  0
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 17 18  2  0  0  0
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 19 20  2  0  0  0
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 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
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 28 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL516783

>  <PubChem CID>
24895351

>  <Formula>
C21H17FN2O4S

>  <Molecular Weight>
412.435000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C21H17FN2O4S/c1-14(25)23-17-10-12-18(13-11-17)29(27,28)24-20-5-3-2-4-19(20)21(26)15-6-8-16(22)9-7-15/h2-13,24H,1H3,(H,23,25)

>  <InChI Key>
AQQKEFJPLRCHQX-UHFFFAOYSA-N

