4-(Methylsulfonamido)benzoic Acid - CAS 7151-76-0

Catalog:	BB034414
Product Name:	4-(Methylsulfonamido)benzoic Acid
CAS:	7151-76-0
Synonyms:	4-(methanesulfonamido)benzoic acid; 4-(methanesulfonamido)benzoic acid

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Computed Properties

IUPAC Name:	4-(methanesulfonamido)benzoic acid
Description:	4-(Methylsulfonamido)benzoic Acid (CAS# 7151-76-0) is a useful research chemical.
Molecular Weight:	215.23
Molecular Formula:	C8H9NO4S
Canonical SMILES:	CS(=O)(=O)NC1=CC=C(C=C1)C(=O)O
InChI:	InChI=1S/C8H9NO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChI Key:	SROHFTOYGFCJAF-UHFFFAOYSA-N
Boiling Point:	408.8 °C at 760 mmHg
Density:	1.51 g/cm³
LogP:	1.91010

Publication Number	Title	Priority Date
WO-2021194908-A1	Modified dipeptide cleavases, uses thereof and related kits	20200324
EP-3782997-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819
WO-2020227097-A1	Kcnt1 inhibitors and methods of use	20190503
US-2021214701-A1	Modified cleavases, uses thereof and related kits	20190326
WO-2020022524-A1	Cellulose monolith production method, and cellulose monolith obtained by said production method	20180726

PMID	Publication Date	Title	Journal
9406595	19971205	Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design	Journal of medicinal chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	298
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.02522894
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	215.02522894
Rotatable Bond Count:	3
Topological Polar Surface Area:	91.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7