
 MLS001116168

 43 45  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
MLS001116168

>  <PubChem CID>
16452954

>  <Formula>
C19H15ClFN3O3S

>  <Molecular Weight>
419.855000

>  <IUPAC Name>
5-chloro-N-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC=C1CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)F)Cl

>  <Isomeric SMILES>
CC1=CC=CC=C1CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)F)Cl

>  <InChI Std. ID>
InChI=1S/C19H15ClFN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(20)17(24-19)18(25)23-15-8-6-14(21)7-9-15/h2-10H,11H2,1H3,(H,23,25)

>  <InChI Key>
LIEQNFQFBUWUFS-UHFFFAOYSA-N

