2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one

C24H19F4NO3S — CID 91262920

IUPAC2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C(C(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C24H19F4NO3S/c25-17-5-1-15(2-6-17)24(16-3-7-18(26)8-4-16)23-13-19(30)11-12-29(23)33(31,32)20-9-10-21(27)22(28)14-20/h1-10,14,23-24H,11-13H2
InChIKeyHDSWNXOJOBMBJC-UHFFFAOYSA-N
MW477.48 g/mol
LogP4.80
Rot. Bonds5

About 2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one

2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one (PubChem CID 91262920) has the molecular formula C24H19F4NO3S and a molecular weight of 477.48 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one
PubChem CID91262920
Molecular FormulaC24H19F4NO3S
Molecular Weight477.48 g/mol
Exact Mass477.10
IUPAC Name2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C(C(c2ccc(F)cc2)c2ccc(F)cc2)C1
InChIInChI=1S/C24H19F4NO3S/c25-17-5-1-15(2-6-17)24(16-3-7-18(26)8-4-16)23-13-19(30)11-12-29(23)33(31,32)20-9-10-21(27)22(28)14-20/h1-10,14,23-24H,11-13H2
InChIKeyHDSWNXOJOBMBJC-UHFFFAOYSA-N
XLogP4.80
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenepropanamide, N-[1-[4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl]-4-piperidinyl]-N-propyl-
CID 478452
8a-benzyl-2-(4-fluorophenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442918
8a-(4-fluorobenzyl)-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442957
N-{1-[(R)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-3-phenyl-N-propyl-propionamide
CID 44461835
(3E,5E)-1-(benzenesulfonyl)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one
CID 73052986
1-(4-Methylphenyl)sulfonyl-2-phenylpiperidin-4-one
CID 44825800
1-[4-Methyl-1-(4-methylphenyl)sulfonyl-6-phenylpiperidin-3-yl]ethanone
CID 53384230
(3E,5E)-3,5-bis[(2-fluorophenyl)methylidene]-1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 145955155
(3E,5E)-1-(benzenesulfonyl)-3,5-bis[(3-fluorophenyl)methylidene]piperidin-4-one
CID 162646307
(3E,5E)-1-(benzenesulfonyl)-3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one
CID 162647916
(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 162648188
(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]-1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 162649170

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one?
The IUPAC name of 2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one (CID 91262920) is 2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one?
The canonical SMILES for 2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one is O=C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C(C(c2ccc(F)cc2)c2ccc(F)cc2)C1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one?
The InChIKey is HDSWNXOJOBMBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4NO3S/c25-17-5-1-15(2-6-17)24(16-3-7-18(26)8-4-16)23-13-19(30)11-12-29(23)33(31,32)20-9-10-21(27)22(28)14-20/h1-10,14,23-24H,11-13H2.
What are the key properties of 2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one?
2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one has a molecular weight of 477.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidin-4-one is sourced from PubChem (CID 91262920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).