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Home > Fluorides > 871114-05-5
871114-05-5 | [1,1'-Biphenyl]-4-sulfonamide, 4'-fluoro-N-(4-hydroxybutyl)-2-methyl-
CAS No: 871114-05-5 Catalog No: AG004TZ6 MDL No:
Product Description
Catalog Number:
AG004TZ6
Chemical Name:
[1,1'-Biphenyl]-4-sulfonamide, 4'-fluoro-N-(4-hydroxybutyl)-2-methyl-
CAS Number:
871114-05-5
Molecular Formula:
C17H20FNO3S
Molecular Weight:
337.4090
IUPAC Name:
4-(4-fluorophenyl)-N-(4-hydroxybutyl)-3-methylbenzenesulfonamide
InChI:
InChI=1S/C17H20FNO3S/c1-13-12-16(23(21,22)19-10-2-3-11-20)8-9-17(13)14-4-6-15(18)7-5-14/h4-9,12,19-20H,2-3,10-11H2,1H3
InChI Key:
GCCUIQSCLMHTOQ-UHFFFAOYSA-N
SMILES:
OCCCCNS(=O)(=O)c1ccc(c(c1)C)c1ccc(cc1)F
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.115g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.409g/mol
Monoisotopic Mass:
337.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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