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Home Sulfos 2-Nitrobenzenesulfonamide

2-Nitrobenzenesulfonamide

CAS No.:
5455-59-4
Catalog Number:
AG00DE6G
Molecular Formula:
C6H6N2O4S
Molecular Weight:
202.1878
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$38
- +
100g
98%
In Stock USA
United States
$100
- +
500g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00DE6G
Chemical Name:
2-Nitrobenzenesulfonamide
CAS Number:
5455-59-4
Molecular Formula:
C6H6N2O4S
Molecular Weight:
202.1878
MDL Number:
MFCD00009807
IUPAC Name:
2-nitrobenzenesulfonamide
InChI:
InChI=1S/C6H6N2O4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H,(H2,7,11,12)
InChI Key:
GNDKYAWHEKZHPJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1S(=O)(=O)N
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:
0.3  
Literature
Title Journal
N-(4-Methyl-benzo-yl)-2-nitro-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20120301
N-(3-Chloro-benzo-yl)-2-nitro-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20120301
N-(2-Chloro-benzo-yl)-2-nitro-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20120201
N-Benzoyl-2-nitro-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20120201
N-(3-Methyl-benzo-yl)-2-nitro-benzene-sulfonamide. Acta crystallographica. Section E, Structure reports online 20120201
ChemicalTagger: A tool for semantic text-mining in chemistry. Journal of cheminformatics 20110101
Total synthesis of (+)-vinblastine: control of the stereochemistry at C18'. Chemical record (New York, N.Y.) 20100401
Synthesis of a 6-aryloxymethyl-5-hydroxy-2,3,4,5-tetrahydro-[1H]-2-benzazepin-4-one: a muscarinic (M3) antagonist. Organic & biomolecular chemistry 20080621
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
DNA display III. Solid-phase organic synthesis on unprotected DNA. PLoS biology 20040701
An efficient and versatile synthesis of acylpolyamine spider toxins. Bioorganic & medicinal chemistry letters 20020211
A rigid linker-scaffold for solid-phase synthesis of dimeric pharmacophores. Journal of combinatorial chemistry 20010101
Properties