5-Methyl-2-(methylsulfonamido)benzoic Acid - CAS 1017051-55-6

Catalog:	BB000615
Product Name:	5-Methyl-2-(methylsulfonamido)benzoic Acid
CAS:	1017051-55-6
Synonyms:	2-(methanesulfonamido)-5-methylbenzoic acid; 2-(methanesulfonamido)-5-methylbenzoic acid

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Computed Properties

IUPAC Name:	2-(methanesulfonamido)-5-methylbenzoic acid
Description:	5-Methyl-2-(methylsulfonamido)benzoic Acid (CAS# 1017051-55-6 ) is a useful research chemical.
Molecular Weight:	229.25
Molecular Formula:	C9H11NO4S
Canonical SMILES:	CC1=CC(=C(C=C1)NS(=O)(=O)C)C(=O)O
InChI:	InChI=1S/C9H11NO4S/c1-6-3-4-8(10-15(2,13)14)7(5-6)9(11)12/h3-5,10H,1-2H3,(H,11,12)
InChI Key:	IAVAVGYTZPNJLD-UHFFFAOYSA-N
LogP:	2.21850

Publication Number	Title	Priority Date
JP-2018076234-A	Pyrazolo [1,5-a] pyrimidine compounds	20150316
WO-2016148145-A1	PYRAZOLO[1,5-a]PYRIMIDINE COMPOUND	20150316
AU-2015359562-A1	Piperidine substituted tricyclic pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV)	20141208
AU-2015359562-B2	Piperidine substituted tricyclic pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (RSV)	20141208
CA-2963054-A1	Piperidine substituted tricyclic pyrazolo[1,5-a]pyrimidine derivatives with inhibitory activity on the replication of the respiratory syncytial virus (rsv)	20141208

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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:	333
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.04087901
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	229.04087901
Rotatable Bond Count:	3
Topological Polar Surface Area:	91.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1