sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos 3-Chlorobenzenesulfonamide

3-Chlorobenzenesulfonamide

CAS No.:
17260-71-8
Catalog Number:
AG003JAD
Molecular Formula:
C6H6ClNO2S
Molecular Weight:
191.6353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$66
- +
5g
98%
1 week
United States
$142
- +
25g
98%
1 week
United States
$350
- +
Product Description
Catalog Number:
AG003JAD
Chemical Name:
3-Chlorobenzenesulfonamide
CAS Number:
17260-71-8
Molecular Formula:
C6H6ClNO2S
Molecular Weight:
191.6353
MDL Number:
MFCD00051976
IUPAC Name:
3-chlorobenzenesulfonamide
InChI:
InChI=1S/C6H6ClNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChI Key:
WSYQJNPRQUFCGL-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)S(=O)(=O)N
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.981g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.629g/mol
Monoisotopic Mass:
190.981g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
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