1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone

C13H15ClO2S — CID 64639174

IUPAC1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone
SMILESO=C(CS(=O)C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO2S/c14-11-7-5-10(6-8-11)13(15)9-17(16)12-3-1-2-4-12/h5-8,12H,1-4,9H2
InChIKeyMRNOGYMARGOEBL-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.21
Rot. Bonds4

About 1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone

1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone (PubChem CID 64639174) has the molecular formula C13H15ClO2S and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone
PubChem CID64639174
Molecular FormulaC13H15ClO2S
Molecular Weight270.78 g/mol
Exact Mass270.05
IUPAC Name1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone
SMILESO=C(CS(=O)C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClO2S/c14-11-7-5-10(6-8-11)13(15)9-17(16)12-3-1-2-4-12/h5-8,12H,1-4,9H2
InChIKeyMRNOGYMARGOEBL-UHFFFAOYSA-N
XLogP3.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfinyl-1-phenylethanone
CID 64639576
2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 64639953
1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone
CID 64640953
1-(3-bromophenyl)-2-cyclopentylsulfinylethanone
CID 64639173
2-cyclopentylsulfinyl-1-(2-fluorophenyl)ethanone
CID 64639778
2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 64639379
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
2-[2-(4-chlorophenyl)-2-oxoethyl]cyclopentan-1-one
CID 14381767
[(1R)-2-oxocyclohexyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7870143
N-(2-aminophenyl)-2-cyclopentylsulfinylacetamide
CID 63115483
cis-(1R,2S)-2-[2-(4-chlorophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 24722531
1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62617497

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone (CID 64639174) is 1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone is O=C(CS(=O)C1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone?
The InChIKey is MRNOGYMARGOEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2S/c14-11-7-5-10(6-8-11)13(15)9-17(16)12-3-1-2-4-12/h5-8,12H,1-4,9H2.
What are the key properties of 1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone?
1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone has a molecular weight of 270.78 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone is sourced from PubChem (CID 64639174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).