4-Sulfamoylbenzoic acid - CAS 138-41-0

Name: 4-Sulfamoylbenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008749
Product Name:	4-Sulfamoylbenzoic acid
CAS:	138-41-0
Synonyms:	4-sulfamoylbenzoic acid
Application:	Carzenide could be used as an intermediate to synthesize sorts of pharmaceuticals like carbonic anhydrase inhibitors.

Technical Data

IUPAC Name:	4-sulfamoylbenzoic acid
Description:	Carzenide, a Sulfanilamide derivative, could be used as an intermediate to synthesize sorts of pharmaceuticals like carbonic anhydrase inhibitors.
Molecular Weight:	201.20
Molecular Formula:	C7H7NO4S
Canonical SMILES:	C1=CC(=CC=C1C(=O)O)S(=O)(=O)N
InChI:	InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
InChI Key:	UCAGLBKTLXCODC-UHFFFAOYSA-N
Boiling Point:	449 °C at 760 mmHg
Melting Point:	290-292 °C
Flash Point:	225.4°C
Purity:	> 98 %
Density:	1.536 g/cm³
Solubility:	DMSO : 36mg/mL
Appearance:	White powder
Storage:	Store at RT.
MDL:	MFCD00007938
LogP:	1.81330
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	7.56E-09mmHg at 25°C

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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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
21757360	20110815	Inhibition studies of the β-carbonic anhydrases from the bacterial pathogen Salmonella enterica serovar Typhimurium with sulfonamides and sulfamates	Bioorganic & medicinal chemistry
21919220	20110801	New bitter blocker discovered, study finds	Journal of the American Dental Association (1939)
21295954	20110501	Polymers of 2-methacryloyloxyethyl phosphorylcholine truly work as cell membrane mimic?	Colloids and surfaces. B, Biointerfaces

Complexity:	284
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.00957888
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	201.00957888
Rotatable Bond Count:	2
Topological Polar Surface Area:	106 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5