3-Amino-benzenemethanesulfonamide - CAS 344750-15-8

Catalog:	BB061287
Product Name:	3-Amino-benzenemethanesulfonamide
CAS:	344750-15-8
Synonyms:	(3-aminophenyl)methanesulfonamide; (3-AMINO-PHENYL)-METHANESULFONAMIDE; 3-Amino-benzenemethanesulfonamide; 3-aminophenyl-methanesulfonamide; 1-(3-aminophenyl)methanesulfonamide; (3-aminophenyl)-methanesulfonamide

Technical Data

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Computed Properties

IUPAC Name:	(3-aminophenyl)methanesulfonamide
Molecular Weight:	186.23
Molecular Formula:	C7H10N2O2S
Canonical SMILES:	C1=CC(=CC(=C1)N)CS(=O)(=O)N
InChI:	InChI=1S/C7H10N2O2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChI Key:	STKNXTNVBKLVRQ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2020331925-A1	Heterocyclic compounds for the treatment of abnormal cellular proliferation	20180104
WO-2017054080-A1	Cytotoxic and anti-mitotic compounds, and methods of using the same	20150929
WO-2016035008-A1	Pyridopyrimidine derivatives as mek inhibitors	20140904
WO-2016009306-A1	Heterocyclyl compounds as mek inhibitors	20140715
AU-2015258781-A1	Methods for inhibiting necroptosis	20140515
CA-2948544-A1	Methods for inhibiting necroptosis	20140515
EP-3142667-A1	Methods for inhibiting necroptosis	20140515
JP-2017521477-A	Methods for inhibiting necroptosis	20140515
US-2017114025-A1	Methods for inhibiting necroptosis	20140515
WO-2015172203-A1	Methods for inhibiting necroptosis	20140515

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.04629874
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	186.04629874
Rotatable Bond Count:	2
Topological Polar Surface Area:	94.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7