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871113-85-8 | [1,1'-Biphenyl]-4-sulfonamide, 2'-amino-N-(4-hydroxybutyl)-
CAS No: 871113-85-8 Catalog No: AG004LB4 MDL No:
Product Description
Catalog Number:
AG004LB4
Chemical Name:
[1,1'-Biphenyl]-4-sulfonamide, 2'-amino-N-(4-hydroxybutyl)-
CAS Number:
871113-85-8
Molecular Formula:
C16H20N2O3S
Molecular Weight:
320.4066
IUPAC Name:
4-(2-aminophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
InChI:
InChI=1S/C16H20N2O3S/c17-16-6-2-1-5-15(16)13-7-9-14(10-8-13)22(20,21)18-11-3-4-12-19/h1-2,5-10,18-19H,3-4,11-12,17H2
InChI Key:
KWCSJBZYPXVJSV-UHFFFAOYSA-N
SMILES:
OCCCCNS(=O)(=O)c1ccc(cc1)c1ccccc1N
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.407g/mol
Monoisotopic Mass:
320.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Development and characterization of biphenylsulfonamides as novel inhibitors of bone resorption. | Journal of medicinal chemistry 20061214 |
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