2-Aminobenzenesulfonamide - CAS 3306-62-5

Catalog:	BB021540
Product Name:	2-Aminobenzenesulfonamide
CAS:	3306-62-5
Synonyms:	2-aminobenzenesulfonamide

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Computed Properties

IUPAC Name:	2-aminobenzenesulfonamide
Description:	2-Aminobenzenesulfonamide is a potent inhibitor of carbonic anhydrase B.
Molecular Weight:	172.20
Molecular Formula:	C6H8N2O2S
Canonical SMILES:	C1=CC=C(C(=C1)N)S(=O)(=O)N
InChI:	InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChI Key:	YAZSBRQTAHVVGE-UHFFFAOYSA-N
Boiling Point:	392.7 °C at 760 mmHg
Purity:	98 %
Density:	1.427 g/cm³
Appearance:	Solid powder
MDL:	MFCD00007932
LogP:	2.27850

Publication Number	Title	Priority Date
CN-113121470-A	Preparation method of benzothiadiazine-1, 1-dioxide compound	20210305
CN-112641730-A	Preparation method of soluble florfenicol powder	20210219
CN-112402427-A	ATP potassium ion channel promoter composition, and preparation method and application thereof	20201113
CN-112239432-A	Preparation method of chiral 3, 4-dihydrobenzothiadiazine compound	20201112
CN-112266351-A	Two-photon ratio fluorescent probe and preparation method and application thereof	20200930

PMID	Publication Date	Title	Journal
22424239	20120412	Molecular cloning, characterization, and inhibition studies of a β-carbonic anhydrase from Malassezia globosa, a potential antidandruff target	Journal of medicinal chemistry
22285172	20120215	Cloning, characterization and sulfonamide inhibition studies of an α-carbonic anhydrase from the living fossil sponge Astrosclera willeyana	Bioorganic & medicinal chemistry
22033816	20111221	Label-free detection of protein binding with multisine SPR microchips	Lab on a chip
21757360	20110815	Inhibition studies of the β-carbonic anhydrases from the bacterial pathogen Salmonella enterica serovar Typhimurium with sulfonamides and sulfamates	Bioorganic & medicinal chemistry
21251841	20110201	A new β-carbonic anhydrase from Brucella suis, its cloning, characterization, and inhibition with sulfonamides and sulfamates, leading to impaired pathogen growth	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.03064868
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	172.03064868
Rotatable Bond Count:	1
Topological Polar Surface Area:	94.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2