1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone

C14H17ClO2S — CID 64640953

IUPAC1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone
SMILESO=C(CS(=O)C1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClO2S/c15-12-6-4-5-11(9-12)14(16)10-18(17)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2
InChIKeyYVVJTTJKIGUSOF-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.60
Rot. Bonds4

About 1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone

1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone (PubChem CID 64640953) has the molecular formula C14H17ClO2S and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone
PubChem CID64640953
Molecular FormulaC14H17ClO2S
Molecular Weight284.81 g/mol
Exact Mass284.06
IUPAC Name1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone
SMILESO=C(CS(=O)C1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClO2S/c15-12-6-4-5-11(9-12)14(16)10-18(17)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2
InChIKeyYVVJTTJKIGUSOF-UHFFFAOYSA-N
XLogP3.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-cyclohexylsulfinylethanone
CID 64639949
1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone
CID 64639174
1-(3-bromophenyl)-2-cyclopentylsulfinylethanone
CID 64639173
2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 64639953
2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
CID 64636282
2-cyclopentylsulfinyl-1-(2,6-difluorophenyl)ethanone
CID 64640573
2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 64639379
1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone
CID 64635308
2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone
CID 64636245
2-(chloroamino)-1-(3-chlorophenyl)ethanone
CID 126496293
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62631068
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(3-chlorophenyl)propan-1-one
CID 63482998

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone (CID 64640953) is 1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone is O=C(CS(=O)C1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone?
The InChIKey is YVVJTTJKIGUSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2S/c15-12-6-4-5-11(9-12)14(16)10-18(17)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2.
What are the key properties of 1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone?
1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone has a molecular weight of 284.81 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone is sourced from PubChem (CID 64640953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).