CAS 1135-00-8 | Benzenesulfonamide, 4-butyl- | CAS Number 1135-00-8

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1135-00-8 | Benzenesulfonamide, 4-butyl-

CAS No: 1135-00-8 Catalog No: AG0008SM MDL No:MFCD00465202

Product Description

Catalog Number:

AG0008SM

Chemical Name:

Benzenesulfonamide, 4-butyl-

CAS Number:

1135-00-8

Molecular Formula:

C10H15NO2S

Molecular Weight:

213.2966

MDL Number:

MFCD00465202

IUPAC Name:

4-butylbenzenesulfonamide

InChI:

InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)

InChI Key:

IWEMSJAOIKQBBZ-UHFFFAOYSA-N

SMILES:

CCCCc1ccc(cc1)S(=O)(=O)N

Properties

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.295g/mol

Monoisotopic Mass:

213.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

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
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
QSAR studies on benzene sulfonamide carbonic anhydrase inhibitors: need of hydrophobic parameter for topological modeling of binding constants of sulfonamides to human CA-II.	Bioorganic & medicinal chemistry letters 20050215