Name: Name:4-Bromobenzenesulfonamide
Brand: Angene
SKU: AG005L4V
Rating: 90 (10 reviews)

Catalog Number:

AG005L4V

Chemical Name:

4-Bromobenzenesulfonamide

CAS Number:

701-34-8

Molecular Formula:

C6H6BrNO2S

Molecular Weight:

236.0863

MDL Number:

MFCD00051977

IUPAC Name:

4-bromobenzenesulfonamide

InChI:

InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)

InChI Key:

STYQHICBPYRHQK-UHFFFAOYSA-N

SMILES:

Brc1ccc(cc1)S(=O)(=O)N

NSC Number:

31049

Complexity:

213

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.93g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.083g/mol

Monoisotopic Mass:

234.93g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Title	Journal
Molecular cloning, characterization, and inhibition studies of a β-carbonic anhydrase from Malassezia globosa, a potential antidandruff target.	Journal of medicinal chemistry 20120412
Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II).	Bioorganic & medicinal chemistry letters 20110101
2-Chloro-benzene-sulfonamide.	Acta crystallographica. Section E, Structure reports online 20090901
o-Toluene-sulfonamide: a redetermination.	Acta crystallographica. Section E, Structure reports online 20090901
A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy.	Journal of medicinal chemistry 20090423
N-(4-Bromo-phenyl-sulfon-yl)-2,2,2-tri-methyl-acetamide.	Acta crystallographica. Section E, Structure reports online 20080801
alpha-Biphenylsulfonylamino 2-methylpropyl phosphonates: enantioselective synthesis and selective inhibition of MMPs.	Bioorganic & medicinal chemistry 20070115
Novel use of chemical shift in NMR as molecular descriptor: a first report on modeling carbonic anhydrase inhibitory activity and related parameters.	Bioorganic & medicinal chemistry letters 20050215
Topological modeling of lipophilicity, diuretic activity, and carbonic inhibition activity of benzene sulfonamides: a molecular connectivity approach.	Bioorganic & medicinal chemistry letters 20041115
Combining NMR and molecular modelling in a drug delivery context: investigation of the multi-mode inclusion of a new NPY-5 antagonist bromobenzenesulfonamide into beta-cyclodextrin.	Bioorganic & medicinal chemistry 20040115
Determination of ebrotidine metabolites in overlapping peaks from capillary zone electrophoresis using chemometric methods.	Electrophoresis 20010101