
 SCHEMBL342766

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M  END

>  <Chemical Name>
SCHEMBL342766

>  <PubChem CID>
59788719

>  <Formula>
C24H22ClF3N4O3S

>  <Molecular Weight>
538.970000

>  <IUPAC Name>
N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzenesulfonamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1CN(CCN1CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=NC=C4

>  <Isomeric SMILES>
C1CN(CCN1CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=NC=C4

>  <InChI Std. ID>
InChI=1S/C24H22ClF3N4O3S/c25-18-1-6-22(21(15-18)23(33)17-7-9-29-10-8-17)30-36(34,35)20-4-2-19(3-5-20)32-13-11-31(12-14-32)16-24(26,27)28/h1-10,15,30H,11-14,16H2

>  <InChI Key>
IOSUAWDFYFIXQF-UHFFFAOYSA-N

