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871113-89-2 | [1,1'-Biphenyl]-4-sulfonamide, N-(4-hydroxybutyl)-2'-iodo-
CAS No: 871113-89-2 Catalog No: AG004TZ8 MDL No:
Product Description
Catalog Number:
AG004TZ8
Chemical Name:
[1,1'-Biphenyl]-4-sulfonamide, N-(4-hydroxybutyl)-2'-iodo-
CAS Number:
871113-89-2
Molecular Formula:
C16H18INO3S
Molecular Weight:
431.2885
IUPAC Name:
N-(4-hydroxybutyl)-4-(2-iodophenyl)benzenesulfonamide
InChI:
InChI=1S/C16H18INO3S/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,3-4,11-12H2
InChI Key:
CAUWQGUYOVTVCF-UHFFFAOYSA-N
SMILES:
OCCCCNS(=O)(=O)c1ccc(cc1)c1ccccc1I
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.005g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
431.288g/mol
Monoisotopic Mass:
431.005g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Development and characterization of biphenylsulfonamides as novel inhibitors of bone resorption. | Journal of medicinal chemistry 20061214 |
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