5-Chloro-2-(methylsulfonamido)benzoic Acid - CAS 89979-12-4

Catalog:	BB039721
Product Name:	5-Chloro-2-(methylsulfonamido)benzoic Acid
CAS:	89979-12-4
Synonyms:	5-chloro-2-(methanesulfonamido)benzoic acid; 5-chloro-2-(methanesulfonamido)benzoic acid

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Computed Properties

IUPAC Name:	5-chloro-2-(methanesulfonamido)benzoic acid
Description:	5-Chloro-2-(methylsulfonamido)benzoic Acid (CAS# 89979-12-4) is a useful research chemical.
Molecular Weight:	249.67
Molecular Formula:	C8H8ClNO4S
Canonical SMILES:	CS(=O)(=O)NC1=C(C=C(C=C1)Cl)C(=O)O
InChI:	InChI=1S/C8H8ClNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
InChI Key:	MSJXONVQCMKJDI-UHFFFAOYSA-N
LogP:	2.56350

Publication Number	Title	Priority Date
WO-2021151104-A1	Salicylamide derivatives and related methods of making	20200126
WO-2021050612-A1	Compositions and methods for the treatment of respiratory syncytial virus	20190909
WO-2020252396-A1	Compositions and methods for the treatment of respiratory syncytial virus	20190613
US-2019359565-A1	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522
WO-2019226490-A1	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	337
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.9862566
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	248.9862566
Rotatable Bond Count:	3
Topological Polar Surface Area:	91.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7