3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one

C12H12F2O3S — CID 64908082

IUPAC3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one
SMILESCC1C(=O)CCC1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H12F2O3S/c1-7-10(15)3-5-11(7)18(16,17)12-4-2-8(13)6-9(12)14/h2,4,6-7,11H,3,5H2,1H3
InChIKeyGJFISECGWNCOEQ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.11
Rot. Bonds2

About 3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one

3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one (PubChem CID 64908082) has the molecular formula C12H12F2O3S and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one
PubChem CID64908082
Molecular FormulaC12H12F2O3S
Molecular Weight274.29 g/mol
Exact Mass274.05
IUPAC Name3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one
SMILESCC1C(=O)CCC1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H12F2O3S/c1-7-10(15)3-5-11(7)18(16,17)12-4-2-8(13)6-9(12)14/h2,4,6-7,11H,3,5H2,1H3
InChIKeyGJFISECGWNCOEQ-UHFFFAOYSA-N
XLogP2.11
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64645052
3-(3,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-one
CID 64910030
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433
2,4-difluorobenzenesulfonyl fluoride
CID 10867234
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
3-(3-fluorophenyl)-2-methylcyclopentan-1-one
CID 64910252
1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585524
3-(2,4-difluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314201
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one?
The IUPAC name of 3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one (CID 64908082) is 3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one is CC1C(=O)CCC1S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one?
The InChIKey is GJFISECGWNCOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O3S/c1-7-10(15)3-5-11(7)18(16,17)12-4-2-8(13)6-9(12)14/h2,4,6-7,11H,3,5H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one?
3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one has a molecular weight of 274.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfonyl-2-methylcyclopentan-1-one is sourced from PubChem (CID 64908082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).