CAS 1132-18-9 | BENZENESULFONAMIDE, 4-PROPYL- | CAS Number 1132-18-9

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Sulfanilamide > 1132-18-9

1132-18-9 | BENZENESULFONAMIDE, 4-PROPYL-

CAS No: 1132-18-9 Catalog No: AG007STG MDL No:MFCD00457070

Product Description

Catalog Number:

AG007STG

Chemical Name:

BENZENESULFONAMIDE, 4-PROPYL-

CAS Number:

1132-18-9

Molecular Formula:

C9H13NO2S

Molecular Weight:

199.2700

MDL Number:

MFCD00457070

IUPAC Name:

4-propylbenzenesulfonamide

InChI:

InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)

InChI Key:

CICCMHNIYTXWRF-UHFFFAOYSA-N

SMILES:

CCCc1ccc(cc1)S(=O)(=O)N

Properties

Complexity:

235

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.268g/mol

Monoisotopic Mass:

199.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

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
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