1-(3,5-difluorophenyl)sulfonylpiperidin-4-one

C11H11F2NO3S — CID 150339337

IUPAC1-(3,5-difluorophenyl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C11H11F2NO3S/c12-8-5-9(13)7-11(6-8)18(16,17)14-3-1-10(15)2-4-14/h5-7H,1-4H2
InChIKeyGRJDSDVYDMXTRV-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.32
Rot. Bonds2

About 1-(3,5-difluorophenyl)sulfonylpiperidin-4-one

1-(3,5-difluorophenyl)sulfonylpiperidin-4-one (PubChem CID 150339337) has the molecular formula C11H11F2NO3S and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)sulfonylpiperidin-4-one
PubChem CID150339337
Molecular FormulaC11H11F2NO3S
Molecular Weight275.28 g/mol
Exact Mass275.04
IUPAC Name1-(3,5-difluorophenyl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C11H11F2NO3S/c12-8-5-9(13)7-11(6-8)18(16,17)14-3-1-10(15)2-4-14/h5-7H,1-4H2
InChIKeyGRJDSDVYDMXTRV-UHFFFAOYSA-N
XLogP1.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine
CID 121187243
1-(3,5-difluorophenyl)sulfonyl-1,4-diazepan-5-one
CID 60709305
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
1-(3,5-dichloro-4-hydroxyphenyl)sulfonylpiperidin-4-one
CID 58245471
1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 126770684
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 10709847
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride
CID 146064617
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
(1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 97039300
1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 154866656
3-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341348

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)sulfonylpiperidin-4-one?
The IUPAC name of 1-(3,5-difluorophenyl)sulfonylpiperidin-4-one (CID 150339337) is 1-(3,5-difluorophenyl)sulfonylpiperidin-4-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)sulfonylpiperidin-4-one?
The canonical SMILES for 1-(3,5-difluorophenyl)sulfonylpiperidin-4-one is O=C1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-(3,5-difluorophenyl)sulfonylpiperidin-4-one?
The InChIKey is GRJDSDVYDMXTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3S/c12-8-5-9(13)7-11(6-8)18(16,17)14-3-1-10(15)2-4-14/h5-7H,1-4H2.
What are the key properties of 1-(3,5-difluorophenyl)sulfonylpiperidin-4-one?
1-(3,5-difluorophenyl)sulfonylpiperidin-4-one has a molecular weight of 275.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)sulfonylpiperidin-4-one is sourced from PubChem (CID 150339337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).