2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone

C14H16F2O3S — CID 64636932

IUPAC2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone
SMILESO=C(CS(=O)(=O)C1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H16F2O3S/c15-10-6-7-12(13(16)8-10)14(17)9-20(18,19)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyOGHNKZSVENXIIU-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.89
Rot. Bonds4

About 2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone

2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone (PubChem CID 64636932) has the molecular formula C14H16F2O3S and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone
PubChem CID64636932
Molecular FormulaC14H16F2O3S
Molecular Weight302.34 g/mol
Exact Mass302.08
IUPAC Name2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone
SMILESO=C(CS(=O)(=O)C1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C14H16F2O3S/c15-10-6-7-12(13(16)8-10)14(17)9-20(18,19)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyOGHNKZSVENXIIU-UHFFFAOYSA-N
XLogP2.89
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone
CID 64637120
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone
CID 55178865
2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 63630556
1-(2,4-difluorophenyl)-2-(3-methylbutan-2-ylsulfonyl)ethanone
CID 107767572
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
CID 119620646
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62036284
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43228924
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-2,4-difluorobenzamide
CID 51130080

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone (CID 64636932) is 2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone is O=C(CS(=O)(=O)C1CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone?
The InChIKey is OGHNKZSVENXIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O3S/c15-10-6-7-12(13(16)8-10)14(17)9-20(18,19)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2.
What are the key properties of 2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone?
2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone has a molecular weight of 302.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 64636932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).