Home Sulfos 4-Nitrobenzenesulfonamide

4-Nitrobenzenesulfonamide

CAS No.:
6325-93-5
Catalog Number:
AG00365Y
Molecular Formula:
C6H6N2O4S
Molecular Weight:
202.1878
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$19
- +
25g
96%
In Stock USA
United States
$63
- +
100g
96%
In Stock USA
United States
$188
- +
500g
96%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00365Y
Chemical Name:
4-Nitrobenzenesulfonamide
CAS Number:
6325-93-5
Molecular Formula:
C6H6N2O4S
Molecular Weight:
202.1878
MDL Number:
MFCD00007937
IUPAC Name:
4-nitrobenzenesulfonamide
InChI:
InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
InChI Key:
QWKKYJLAUWFPDB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N
EC Number:
228-691-6
UNII:
TUF52O8Y8B
NSC Number:
31148
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.005g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.184g/mol
Monoisotopic Mass:
202.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Determination of structural and vibrational spectroscopic properties of 2-, 3-, 4-nitrobenzenesulfonamide using FT-IR and FT-Raman experimental techniques and DFT quantum chemical calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120101
N-Benzoyl-4-nitro-benzene-sulfonamide monohydrate. Acta crystallographica. Section E, Structure reports online 20120101
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
Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives. Bioorganic & medicinal chemistry letters 20041115
Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique. Acta crystallographica. Section B, Structural science 20021001
Properties