CAS 138-38-5 | Benzenesulfonamide, 4-ethyl- | CAS Number 138-38-5

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138-38-5 | Benzenesulfonamide, 4-ethyl-

CAS No: 138-38-5 Catalog No: AG0017T8 MDL No:MFCD01365828

Product Description

Catalog Number:

AG0017T8

Chemical Name:

Benzenesulfonamide, 4-ethyl-

CAS Number:

138-38-5

Molecular Formula:

C8H11NO2S

Molecular Weight:

185.2434

MDL Number:

MFCD01365828

IUPAC Name:

4-ethylbenzenesulfonamide

InChI:

InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)

InChI Key:

MLTGAVXHWSDGIS-UHFFFAOYSA-N

SMILES:

CCc1ccc(cc1)S(=O)(=O)N

NSC Number:

9909

Properties

Complexity:

222

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.241g/mol

Monoisotopic Mass:

185.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

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
3D-QSAR study of benzene sulfonamide analogs as carbonic anhydrase II inhibitors.	Bioorganic & medicinal chemistry letters 20100515
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