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

C24H19F4NO3S — CID 91015542

IUPAC2-[bis(4-fluorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(F)cc2F)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)22-14-20(30)11-12-29(22)33(31,32)23-10-9-19(27)13-21(23)28/h1-10,13,22,24H,11-12,14H2
InChIKeyYFVQECMLJUTRNH-UHFFFAOYSA-N
MW477.48 g/mol
LogP4.80
Rot. Bonds5

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

2-[bis(4-fluorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-4-one (PubChem CID 91015542) has the molecular formula C24H19F4NO3S and a molecular weight of 477.48 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-4-one
PubChem CID91015542
Molecular FormulaC24H19F4NO3S
Molecular Weight477.48 g/mol
Exact Mass477.10
IUPAC Name2-[bis(4-fluorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(F)cc2F)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)22-14-20(30)11-12-29(22)33(31,32)23-10-9-19(27)13-21(23)28/h1-10,13,22,24H,11-12,14H2
InChIKeyYFVQECMLJUTRNH-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

Analyze 2-[bis(4-fluorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-4-one?
The IUPAC name of 2-[bis(4-fluorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-4-one (CID 91015542) is 2-[bis(4-fluorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-4-one.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-4-one?
The canonical SMILES for 2-[bis(4-fluorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-4-one is O=C1CCN(S(=O)(=O)c2ccc(F)cc2F)C(C(c2ccc(F)cc2)c2ccc(F)cc2)C1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-4-one?
The InChIKey is YFVQECMLJUTRNH-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)22-14-20(30)11-12-29(22)33(31,32)23-10-9-19(27)13-21(23)28/h1-10,13,22,24H,11-12,14H2.
What are the key properties of 2-[bis(4-fluorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-4-one?
2-[bis(4-fluorophenyl)methyl]-1-(2,4-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-(2,4-difluorophenyl)sulfonylpiperidin-4-one is sourced from PubChem (CID 91015542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).