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

C14H16Cl2O3S — CID 64637120

IUPAC2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(CS(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2O3S/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
InChIKeyPPHIDGJFCVFTIE-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.92
Rot. Bonds4

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

2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone (PubChem CID 64637120) has the molecular formula C14H16Cl2O3S and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone
PubChem CID64637120
Molecular FormulaC14H16Cl2O3S
Molecular Weight335.25 g/mol
Exact Mass334.02
IUPAC Name2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(CS(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2O3S/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
InChIKeyPPHIDGJFCVFTIE-UHFFFAOYSA-N
XLogP3.92
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone
CID 64636932
2-(azepan-2-yl)-1-(2,4-dichlorophenyl)ethanone
CID 79538236
(4-cyclopentylsulfonylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 110363728
3-[1-[4-(cyclopropylmethylsulfonyl)piperidin-1-yl]cyclohexyl]-1-(2,4-dichlorophenyl)propan-1-one
CID 58561675
1-(2,4-dichlorophenyl)-2-(2-methylpropylsulfonyl)ethanone
CID 64641436
3-(2,4-dichlorophenyl)-3-oxopropanal
CID 10889333
cyclobutyl-(2,4-dichlorophenyl)methanone
CID 24724148
1-(2,4-dichlorophenyl)-3-methylsulfonylpropan-1-one
CID 114969550
N-(2,4-dichlorophenyl)-2-(4,4-dimethylcyclohexyl)sulfonylacetamide
CID 154754123
2-[1-[2-(2,4-dichlorophenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 63496419
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)ethanone
CID 62037871
N-cyclopropyl-2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 60681736

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone (CID 64637120) is 2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone is O=C(CS(=O)(=O)C1CCCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is PPHIDGJFCVFTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O3S/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-dichlorophenyl)ethanone?
2-cyclohexylsulfonyl-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 335.25 g/mol, XLogP of 3.92, 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-dichlorophenyl)ethanone is sourced from PubChem (CID 64637120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).