3-Chloro-4-nitrobenzenesulfonamide - CAS 93745-74-5

Catalog:	BB041057
Product Name:	3-Chloro-4-nitrobenzenesulfonamide
CAS:	93745-74-5
Synonyms:	3-chloro-4-nitrobenzenesulfonamide; 3-chloro-4-nitrobenzenesulfonamide

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-4-nitrobenzenesulfonamide
Description:	3-Chloro-4-nitrobenzenesulfonamide (CAS# 93745-74-5) is a useful research chemical.
Molecular Weight:	236.63
Molecular Formula:	C6H5ClN2O4S
Canonical SMILES:	C1=CC(=C(C=C1S(=O)(=O)N)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C6H5ClN2O4S/c7-5-3-4(14(8,12)13)1-2-6(5)9(10)11/h1-3H,(H2,8,12,13)
InChI Key:	GSRVYSLJJHIICB-UHFFFAOYSA-N
LogP:	3.19990

Publication Number	Title	Priority Date
CN-109456231-A	A kind of preparation method of 2- nitro-chlorobenzene -4- sulfonamide	20181213
EP-0848703-A1	Derivatives of benzosulphonamides as inhibitors of the enzyme cyclo-oxygenase ii	19950721
EP-0848703-B1	Derivatives of benzosulphonamides as inhibitors of the enzyme cyclo-oxygenase ii	19950721
JP-H11510485-A	Derivatives of benzenesulfonamide as inhibitors of the enzyme cyclooxygenase II	19950721
US-6004948-A	Derivatives of benzosulphonamides as inhibitors of the enzyme cyclooxygenase II	19950721

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Complexity:	320
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.9658555
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	235.9658555
Rotatable Bond Count:	1
Topological Polar Surface Area:	114
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1