1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one

C13H13F2NO4S — CID 64642010

IUPAC1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H13F2NO4S/c14-9-1-2-12(11(15)7-9)21(19,20)8-13(18)16-5-3-10(17)4-6-16/h1-2,7H,3-6,8H2
InChIKeyTVWJPPWXILGVLX-UHFFFAOYSA-N
MW317.31 g/mol
LogP0.93
Rot. Bonds3

About 1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one

1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one (PubChem CID 64642010) has the molecular formula C13H13F2NO4S and a molecular weight of 317.31 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one
PubChem CID64642010
Molecular FormulaC13H13F2NO4S
Molecular Weight317.31 g/mol
Exact Mass317.05
IUPAC Name1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H13F2NO4S/c14-9-1-2-12(11(15)7-9)21(19,20)8-13(18)16-5-3-10(17)4-6-16/h1-2,7H,3-6,8H2
InChIKeyTVWJPPWXILGVLX-UHFFFAOYSA-N
XLogP0.93
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-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

Related Compounds

2-(4-amino-2-fluorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
CID 81185010
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8771330
2-cyclopentyl-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9302375
1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one
CID 64635390
2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60895838
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 167882186
2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 1486407
1-(1,3-dihydroisoindol-2-yl)-2-(2-fluorophenyl)sulfonylethanone
CID 166512201
2-adamantyl-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55388020
4-amino-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120587315
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 9365418

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one?
The IUPAC name of 1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one (CID 64642010) is 1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one is O=C1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one?
The InChIKey is TVWJPPWXILGVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO4S/c14-9-1-2-12(11(15)7-9)21(19,20)8-13(18)16-5-3-10(17)4-6-16/h1-2,7H,3-6,8H2.
What are the key properties of 1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one?
1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one has a molecular weight of 317.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)sulfonylacetyl]piperidin-4-one is sourced from PubChem (CID 64642010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).