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Home > Nitro Compounds > 871113-75-6
871113-75-6 | [1,1'-Biphenyl]-4-sulfonamide, N-(4-hydroxybutyl)-3'-nitro-
CAS No: 871113-75-6 Catalog No: AG004P6Y MDL No:
Product Description
Catalog Number:
AG004P6Y
Chemical Name:
[1,1'-Biphenyl]-4-sulfonamide, N-(4-hydroxybutyl)-3'-nitro-
CAS Number:
871113-75-6
Molecular Formula:
C16H18N2O5S
Molecular Weight:
350.3895
IUPAC Name:
N-(4-hydroxybutyl)-4-(3-nitrophenyl)benzenesulfonamide
InChI:
InChI=1S/C16H18N2O5S/c19-11-2-1-10-17-24(22,23)16-8-6-13(7-9-16)14-4-3-5-15(12-14)18(20)21/h3-9,12,17,19H,1-2,10-11H2
InChI Key:
BVJKVKQRRWKAHL-UHFFFAOYSA-N
SMILES:
OCCCCNS(=O)(=O)c1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.094g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.389g/mol
Monoisotopic Mass:
350.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Development and characterization of biphenylsulfonamides as novel inhibitors of bone resorption. | Journal of medicinal chemistry 20061214 |
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