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Home Sulfos 3-Nitrobenzenesulfonamide

3-Nitrobenzenesulfonamide

CAS No.:
121-52-8
Catalog Number:
AG0076A9
Molecular Formula:
C6H6N2O4S
Molecular Weight:
202.1878
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$14
- +
25g
98%
In Stock USA
United States
$45
- +
100g
98%
In Stock USA
United States
$125
- +
500g
98%
In Stock USA
United States
$425
- +
Product Description
Catalog Number:
AG0076A9
Chemical Name:
3-Nitrobenzenesulfonamide
CAS Number:
121-52-8
Molecular Formula:
C6H6N2O4S
Molecular Weight:
202.1878
MDL Number:
MFCD00007935
IUPAC Name:
3-nitrobenzenesulfonamide
InChI:
InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
InChI Key:
TXTQURPQLVHJRE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N
EC Number:
204-477-8
NSC Number:
407487
Properties
Complexity:
289  
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
N-(2-Chloro-benzo-yl)-2-nitro-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20120201
N-(2-Chloro-benzo-yl)-3-nitro-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20120201
N-(3-Chloro-benzo-yl)-3-nitro-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20120101
N-Benzoyl-3-nitro-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20111201
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