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338956-76-6 | 4-chloro-N-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenyl)benzene-1-sulfonamide
CAS No: 338956-76-6 Catalog No: AG01FIMG MDL No:
Product Description
Catalog Number:
AG01FIMG
Chemical Name:
4-chloro-N-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenyl)benzene-1-sulfonamide
CAS Number:
338956-76-6
Molecular Formula:
C19H13Cl2F3N2O2S
Molecular Weight:
461.2849
IUPAC Name:
4-chloro-N-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl]benzenesulfonamide
InChI:
InChI=1S/C19H13Cl2F3N2O2S/c20-14-3-7-16(8-4-14)29(27,28)26-15-5-1-12(2-6-15)9-18-17(21)10-13(11-25-18)19(22,23)24/h1-8,10-11,26H,9H2
InChI Key:
YMFINWCCPLXMTI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)Cc1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.003g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
461.28g/mol
Monoisotopic Mass:
460.003g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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