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Home > Nitro Compounds > 6380-13-8
6380-13-8 | 4-METHYL-N-(2-NITRO-PHENYL)-BENZENE SULFONAMIDE
CAS No: 6380-13-8 Catalog No: AG00EF58 MDL No:MFCD00088638
Product Description
Catalog Number:
AG00EF58
Chemical Name:
4-METHYL-N-(2-NITRO-PHENYL)-BENZENE SULFONAMIDE
CAS Number:
6380-13-8
Molecular Formula:
C13H12N2O4S
Molecular Weight:
292.3104
MDL Number:
MFCD00088638
IUPAC Name:
4-methyl-N-(2-nitrophenyl)benzenesulfonamide
InChI:
InChI=1S/C13H12N2O4S/c1-10-6-8-11(9-7-10)20(18,19)14-12-4-2-3-5-13(12)15(16)17/h2-9,14H,1H3
InChI Key:
AEEARKNYRMBNSW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1[N+](=O)[O-]
NSC Number:
86601
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.309g/mol
Monoisotopic Mass:
292.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Potent anti-prostate cancer agents derived from a novel androgen receptor down-regulating agent. | Bioorganic & medicinal chemistry 20080401 |
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