N-(4-Chloro-2-(2-chlorobenzoyl)phenyl)-3,4-dimethoxybenzenesulfonamide - CAS 140916-61-6

Catalog:	BB062334
Product Name:	N-(4-Chloro-2-(2-chlorobenzoyl)phenyl)-3,4-dimethoxybenzenesulfonamide
CAS:	140916-61-6
Synonyms:	N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3,4-dimethoxybenzenesulfonamide; N-(4-Chloro-2-(2-chlorobenzoyl)phenyl)-3,4-dimethoxybenzenesulfonamide; 2',5-Dichloro-2-(3,4-dimethoxyphenylsulfonamido) benzophenone; 2',5-Dichloro-2-(3,4-dimethoxyphenylsulfonamido)-benzophenone; 2',5-Dichloro-2-(3,4-dimethoxyphenylsulfonamido)benzophenone; n-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3,4-dimethoxybenzene sulfonamide

Technical Data

IUPAC Name:	N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3,4-dimethoxybenzenesulfonamide
Description:	N-(4-Chloro-2-(2-chlorobenzoyl)phenyl)-3,4-dimethoxybenzenesulfonamide is an intermediate in the synthesis of Relcovaptan (R143310), a selective vasopressin-1a receptor antagonist that prevents cellular swelling and provides treatment for post-traumatic brain edema.
Molecular Weight:	466.33
Molecular Formula:	C21H17Cl2NO5S
Canonical SMILES:	COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)OC
InChI:	InChI=1S/C21H17Cl2NO5S/c1-28-19-10-8-14(12-20(19)29-2)30(26,27)24-18-9-7-13(22)11-16(18)21(25)15-5-3-4-6-17(15)23/h3-12,24H,1-2H3
InChI Key:	HVSMLPFOMULKPC-UHFFFAOYSA-N
References:	Marmarou, C.R., et. al. Brain Res., 1581, 89 (2014).

Complexity:	685
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	465.0204492
Formal Charge:	0
Heavy Atom Count:	30
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	465.0204492
Rotatable Bond Count:	7
Topological Polar Surface Area:	90.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.5