4-Fluoro-2-(methylsulfonamido)benzoic Acid - CAS 170107-84-3

Catalog:	BB012610
Product Name:	4-Fluoro-2-(methylsulfonamido)benzoic Acid
CAS:	170107-84-3
Synonyms:	4-fluoro-2-(methanesulfonamido)benzoic acid; 4-fluoro-2-(methanesulfonamido)benzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-fluoro-2-(methanesulfonamido)benzoic acid
Description:	4-Fluoro-2-(methylsulfonamido)benzoic Acid (CAS# 170107-84-3) is a useful research chemical.
Molecular Weight:	233.22
Molecular Formula:	C8H8FNO4S
Canonical SMILES:	CS(=O)(=O)NC1=C(C=CC(=C1)F)C(=O)O
InChI:	InChI=1S/C8H8FNO4S/c1-15(13,14)10-7-4-5(9)2-3-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
InChI Key:	TZGMSNABOSDFNW-UHFFFAOYSA-N
LogP:	2.04920

Publication Number	Title	Priority Date
TW-202003457-A	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522
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

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:	233.01580707
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	233.01580707
Rotatable Bond Count:	3
Topological Polar Surface Area:	91.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1