CAS 1565-17-9 | Benzenesulfonamide, 4-acetyl- | CAS Number 1565-17-9

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1565-17-9 | Benzenesulfonamide, 4-acetyl-

CAS No: 1565-17-9 Catalog No: AG001OS6 MDL No:MFCD00792524

Product Description

Catalog Number:

AG001OS6

Chemical Name:

Benzenesulfonamide, 4-acetyl-

CAS Number:

1565-17-9

Molecular Formula:

C8H9NO3S

Molecular Weight:

199.2270

MDL Number:

MFCD00792524

IUPAC Name:

4-acetylbenzenesulfonamide

InChI:

InChI=1S/C8H9NO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12)

InChI Key:

CSATVXJBGFVJES-UHFFFAOYSA-N

SMILES:

CC(=O)c1ccc(cc1)S(=O)(=O)N

EC Number:

216-363-5

Properties

Complexity:

283

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.224g/mol

Monoisotopic Mass:

199.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

Title	Journal
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
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