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Home > Fluorides > 136861-96-6
136861-96-6 | Methanesulfonamide, N-[4-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]carbonyl]phenyl]-, hydrochloride (1:1)
CAS No: 136861-96-6 Catalog No: AG0012II MDL No:
Product Description
Catalog Number:
AG0012II
Chemical Name:
Methanesulfonamide, N-[4-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]carbonyl]phenyl]-, hydrochloride (1:1)
CAS Number:
136861-96-6
Molecular Formula:
C21H24ClFN2O4S
Molecular Weight:
454.9427
IUPAC Name:
N-[4-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide;hydrochloride
InChI:
InChI=1S/C21H23FN2O4S.ClH/c1-29(27,28)23-19-8-4-16(5-9-19)21(26)17-10-12-24(13-11-17)14-20(25)15-2-6-18(22)7-3-15;/h2-9,17,23H,10-14H2,1H3;1H
InChI Key:
YVIOSUWCZDHHEI-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)NS(=O)(=O)C)C1CCN(CC1)CC(=O)c1ccc(cc1)F.Cl
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.113g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
454.941g/mol
Monoisotopic Mass:
454.113g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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