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Home > Sulfanilamide > 871113-81-4
871113-81-4 | [1,1'-Biphenyl]-4-sulfonamide, N-(4-hydroxybutyl)-4'-(methylthio)-
CAS No: 871113-81-4 Catalog No: AG004P6W MDL No:
Product Description
Catalog Number:
AG004P6W
Chemical Name:
[1,1'-Biphenyl]-4-sulfonamide, N-(4-hydroxybutyl)-4'-(methylthio)-
CAS Number:
871113-81-4
Molecular Formula:
C17H21NO3S2
Molecular Weight:
351.4835
IUPAC Name:
N-(4-hydroxybutyl)-4-(4-methylsulfanylphenyl)benzenesulfonamide
InChI:
InChI=1S/C17H21NO3S2/c1-22-16-8-4-14(5-9-16)15-6-10-17(11-7-15)23(20,21)18-12-2-3-13-19/h4-11,18-19H,2-3,12-13H2,1H3
InChI Key:
PYUTUDKYYFGKPL-UHFFFAOYSA-N
SMILES:
OCCCCNS(=O)(=O)c1ccc(cc1)c1ccc(cc1)SC
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.096g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.479g/mol
Monoisotopic Mass:
351.096g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Development and characterization of biphenylsulfonamides as novel inhibitors of bone resorption. | Journal of medicinal chemistry 20061214 |
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