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1195768-20-7 | Benzenesulfonamide, N-[3-[2-(2-chloro-4-pyrimidinyl)acetyl]-2-fluorophenyl]-2,6-difluoro-
CAS No: 1195768-20-7 Catalog No: AG000P88 MDL No:
Product Description
Catalog Number:
AG000P88
Chemical Name:
Benzenesulfonamide, N-[3-[2-(2-chloro-4-pyrimidinyl)acetyl]-2-fluorophenyl]-2,6-difluoro-
CAS Number:
1195768-20-7
Molecular Formula:
C18H11ClF3N3O3S
Molecular Weight:
441.8114
IUPAC Name:
N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
InChI:
InChI=1S/C18H11ClF3N3O3S/c19-18-23-8-7-10(24-18)9-15(26)11-3-1-6-14(16(11)22)25-29(27,28)17-12(20)4-2-5-13(17)21/h1-8,25H,9H2
InChI Key:
JENXIOQPSJSXEN-UHFFFAOYSA-N
SMILES:
Clc1nccc(n1)CC(=O)c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F
EC Number:
813-146-2
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.016g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
441.809g/mol
Monoisotopic Mass:
441.016g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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