sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos Benzenesulfonamide, 4-acetyl-

Benzenesulfonamide, 4-acetyl-

CAS No.:
1565-17-9
Catalog Number:
AG001OS6
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties