Home Sulfos 4-amino-3-bromobenzene-1-sulfonamide

4-amino-3-bromobenzene-1-sulfonamide

CAS No.:
53297-69-1
Catalog Number:
AG019LAV
Molecular Formula:
C6H7BrN2O2S
Molecular Weight:
251.1010
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Product Description
Catalog Number:
AG019LAV
Chemical Name:
4-amino-3-bromobenzene-1-sulfonamide
CAS Number:
53297-69-1
Molecular Formula:
C6H7BrN2O2S
Molecular Weight:
251.1010
MDL Number:
MFCD03546509
IUPAC Name:
4-amino-3-bromobenzenesulfonamide
InChI:
InChI=1S/C6H7BrN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
InChI Key:
KQEVQYJWCZRLTJ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1Br)S(=O)(=O)N
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.941g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.098g/mol
Monoisotopic Mass:
249.941g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
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Discovery of low nanomolar and subnanomolar inhibitors of the mycobacterial beta-carbonic anhydrases Rv1284 and Rv3273. Journal of medicinal chemistry 20090709
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Carbonic anhydrase inhibitors. Cloning, characterization, and inhibition studies of a new beta-carbonic anhydrase from Mycobacterium tuberculosis. Journal of medicinal chemistry 20090514
Molecular cloning, characterization, and inhibition studies of the Rv1284 beta-carbonic anhydrase from Mycobacterium tuberculosis with sulfonamides and a sulfamate. Journal of medicinal chemistry 20090423
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QSAR study on topically acting sulfonamides incorporating GABA moieties: a molecular connectivity approach. Bioorganic & medicinal chemistry letters 20060401
Carbonic anhydrase inhibitors: DNA cloning and inhibition studies of the alpha-carbonic anhydrase from Helicobacter pylori, a new target for developing sulfonamide and sulfamate gastric drugs. Journal of medicinal chemistry 20060323
Carbonic anhydrase inhibitors. The mitochondrial isozyme VB as a new target for sulfonamide and sulfamate inhibitors. Journal of medicinal chemistry 20051201
Carbonic anhydrase inhibitors: inhibition of the transmembrane isozyme XIV with sulfonamides. Bioorganic & medicinal chemistry letters 20050901
Carbonic anhydrase inhibitors. Inhibition of the transmembrane isozyme XII with sulfonamides-a new target for the design of antitumor and antiglaucoma drugs? Bioorganic & medicinal chemistry letters 20050215
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Carbonic anhydrase inhibitors. Inhibition of the prokariotic beta and gamma-class enzymes from Archaea with sulfonamides. Bioorganic & medicinal chemistry letters 20041220
Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives. Bioorganic & medicinal chemistry letters 20041115
Carbonic anhydrase inhibitors. Inhibition of cytosolic isozyme XIII with aromatic and heterocyclic sulfonamides: a novel target for the drug design. Bioorganic & medicinal chemistry letters 20040716
Carbonic anhydrase inhibitors: the first QSAR study on inhibition of tumor-associated isoenzyme IX with aromatic and heterocyclic sulfonamides. Bioorganic & medicinal chemistry letters 20040621
Carbonic anhydrase inhibitors. Inhibition of tumor-associated isozyme IX by halogenosulfanilamide and halogenophenylaminobenzolamide derivatives. Journal of medicinal chemistry 20030522
Carbonic anhydrase inhibitors: inhibition of the tumor-associated isozyme IX with aromatic and heterocyclic sulfonamides. Bioorganic & medicinal chemistry letters 20030324
Carbonic anhydrase inhibitors. A general approach for the preparation of water-soluble sulfonamides incorporating polyamino-polycarboxylate tails and of their metal complexes possessing long-lasting, topical intraocular pressure-lowering properties. Journal of medicinal chemistry 20020328
Carbonic anhydrase inhibitors: synthesis of sulfonamides incorporating dtpa tails and of their zinc complexes with powerful topical antiglaucoma properties. Bioorganic & medicinal chemistry letters 20010226
Properties