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Home > Fluorides > 871113-95-0
871113-95-0 | [1,1'-Biphenyl]-4-sulfonamide, N-(5-hydroxypentyl)-2'-(trifluoromethyl)-
CAS No: 871113-95-0 Catalog No: AG004LB2 MDL No:
Product Description
Catalog Number:
AG004LB2
Chemical Name:
[1,1'-Biphenyl]-4-sulfonamide, N-(5-hydroxypentyl)-2'-(trifluoromethyl)-
CAS Number:
871113-95-0
Molecular Formula:
C18H20F3NO3S
Molecular Weight:
387.4165
IUPAC Name:
N-(5-hydroxypentyl)-4-[2-(trifluoromethyl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C18H20F3NO3S/c19-18(20,21)17-7-3-2-6-16(17)14-8-10-15(11-9-14)26(24,25)22-12-4-1-5-13-23/h2-3,6-11,22-23H,1,4-5,12-13H2
InChI Key:
HXVIIIDKXQBWDK-UHFFFAOYSA-N
SMILES:
OCCCCCNS(=O)(=O)c1ccc(cc1)c1ccccc1C(F)(F)F
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.417g/mol
Monoisotopic Mass:
387.112g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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