4-(Chlorosulfonyl)benzamide - CAS 885526-86-3

Catalog:	BB039001
Product Name:	4-(Chlorosulfonyl)benzamide
CAS:	885526-86-3
Synonyms:	4-carbamoylbenzenesulfonyl chloride; 4-carbamoylbenzenesulfonyl chloride

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Computed Properties

IUPAC Name:	4-carbamoylbenzenesulfonyl chloride
Description:	4-(Chlorosulfonyl)benzamide (CAS# 885526-86-3) is a useful research chemical.
Molecular Weight:	219.65
Molecular Formula:	C7H6ClNO3S
Canonical SMILES:	C1=CC(=CC=C1C(=O)N)S(=O)(=O)Cl
InChI:	InChI=1S/C7H6ClNO3S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChI Key:	YWMSSKBMOFPBDM-UHFFFAOYSA-N
Appearance:	White powder
LogP:	2.49410

Publication Number	Title	Priority Date
WO-2021034729-A1	N-aryl sulfonamide derivatives as vaccine adjuvant	20190816
US-2019359565-A1	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522
WO-2019226490-A1	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522
AU-2019272538-A1	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522
CN-112204008-A	Sulphonylaminobenzylamide and sulphonylaminobenzamide derivatives	20180522

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.9756919
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.9756919
Rotatable Bond Count:	2
Topological Polar Surface Area:	85.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7