Name: Name:Benzenesulfonamide, N-[3-[5-(2-chloro-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-
Brand: Angene
SKU: AG000P87
Rating: 90 (10 reviews)

Benzenesulfonamide, N-[3-[5-(2-chloro-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-

CAS No.:

1195768-23-0

Catalog Number:

AG000P87

Molecular Formula:

C23H18ClF3N4O2S2

Molecular Weight:

538.9928

Catalog Number:

AG000P87

Chemical Name:

Benzenesulfonamide, N-[3-[5-(2-chloro-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-

CAS Number:

1195768-23-0

Molecular Formula:

C23H18ClF3N4O2S2

Molecular Weight:

538.9928

MDL Number:

MFCD18447700

IUPAC Name:

N-[3-[2-tert-butyl-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

InChI:

InChI=1S/C23H18ClF3N4O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(24)29-16)12-6-4-9-15(17(12)27)31-35(32,33)20-13(25)7-5-8-14(20)26/h4-11,31H,1-3H3

InChI Key:

IOJHPWJJWDACRN-UHFFFAOYSA-N

SMILES:

Clc1nccc(n1)c1sc(nc1c1cccc(c1F)NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C

EC Number:

813-231-4

Complexity:

821

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

538.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

538.988g/mol

Monoisotopic Mass:

538.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

122A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.1