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Home > Nitro Compounds > 871113-68-7
871113-68-7 | [1,1'-Biphenyl]-4-sulfonamide, N-(4-hydroxybutyl)-2'-nitro-
CAS No: 871113-68-7 Catalog No: AG004TZB MDL No:
Product Description
Catalog Number:
AG004TZB
Chemical Name:
[1,1'-Biphenyl]-4-sulfonamide, N-(4-hydroxybutyl)-2'-nitro-
CAS Number:
871113-68-7
Molecular Formula:
C16H18N2O5S
Molecular Weight:
350.3895
IUPAC Name:
N-(4-hydroxybutyl)-4-(2-nitrophenyl)benzenesulfonamide
InChI:
InChI=1S/C16H18N2O5S/c19-12-4-3-11-17-24(22,23)14-9-7-13(8-10-14)15-5-1-2-6-16(15)18(20)21/h1-2,5-10,17,19H,3-4,11-12H2
InChI Key:
QNZPKSGCPOUABH-UHFFFAOYSA-N
SMILES:
OCCCCNS(=O)(=O)c1ccc(cc1)c1ccccc1[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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