Home Sulfos 4-Chloro-3-nitrobenzenesulfonamide

4-Chloro-3-nitrobenzenesulfonamide

CAS No.:
97-09-6
Catalog Number:
AG003JSO
Molecular Formula:
C6H5ClN2O4S
Molecular Weight:
236.6329
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$28
- +
25g
98%
In Stock USA
United States
$82
- +
100g
98%
In Stock USA
United States
$157
- +
500g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG003JSO
Chemical Name:
4-Chloro-3-nitrobenzenesulfonamide
CAS Number:
97-09-6
Molecular Formula:
C6H5ClN2O4S
Molecular Weight:
236.6329
MDL Number:
MFCD00035783
IUPAC Name:
4-chloro-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C6H5ClN2O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,(H2,8,12,13)
InChI Key:
SPZGXONNVLTQDE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N
EC Number:
202-559-8
UNII:
2O1T5ZXF22
NSC Number:
512314
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.966g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.626g/mol
Monoisotopic Mass:
235.966g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
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
Nitrobenzene compounds inhibit expression of VCAM-1. Bioorganic & medicinal chemistry letters 20010723
Properties