3-(3-chlorophenyl)sulfinylcyclopentan-1-one

C11H11ClO2S — CID 64724714

IUPAC3-(3-chlorophenyl)sulfinylcyclopentan-1-one
SMILESO=C1CCC(S(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C11H11ClO2S/c12-8-2-1-3-10(6-8)15(14)11-5-4-9(13)7-11/h1-3,6,11H,4-5,7H2
InChIKeyVWIOVIIWFFMFER-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.57
Rot. Bonds2

About 3-(3-chlorophenyl)sulfinylcyclopentan-1-one

3-(3-chlorophenyl)sulfinylcyclopentan-1-one (PubChem CID 64724714) has the molecular formula C11H11ClO2S and a molecular weight of 242.73 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfinylcyclopentan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfinylcyclopentan-1-one
PubChem CID64724714
Molecular FormulaC11H11ClO2S
Molecular Weight242.73 g/mol
Exact Mass242.02
IUPAC Name3-(3-chlorophenyl)sulfinylcyclopentan-1-one
SMILESO=C1CCC(S(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C11H11ClO2S/c12-8-2-1-3-10(6-8)15(14)11-5-4-9(13)7-11/h1-3,6,11H,4-5,7H2
InChIKeyVWIOVIIWFFMFER-UHFFFAOYSA-N
XLogP2.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64723455
2-(3-chlorophenyl)sulfinylcycloheptane-1-carbonitrile
CID 64690847
3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane
CID 167494047
3-(3-chlorophenyl)sulfinyl-2-methylcyclopentan-1-amine
CID 64904088
3-(3-chlorophenyl)sulfinyloxan-4-amine
CID 64658960
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-one
CID 64724861
1-chloro-3-[(R)-phenylsulfinyl]benzene
CID 93022884
2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64657981
3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64904089
4-(3-chloro-N-methylanilino)cyclohexan-1-one
CID 117029680
(2R)-2-[(3-chlorophenyl)sulfinylmethyl]oxirane
CID 130493487

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfinylcyclopentan-1-one?
The IUPAC name of 3-(3-chlorophenyl)sulfinylcyclopentan-1-one (CID 64724714) is 3-(3-chlorophenyl)sulfinylcyclopentan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)sulfinylcyclopentan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)sulfinylcyclopentan-1-one is O=C1CCC(S(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 3-(3-chlorophenyl)sulfinylcyclopentan-1-one?
The InChIKey is VWIOVIIWFFMFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2S/c12-8-2-1-3-10(6-8)15(14)11-5-4-9(13)7-11/h1-3,6,11H,4-5,7H2.
What are the key properties of 3-(3-chlorophenyl)sulfinylcyclopentan-1-one?
3-(3-chlorophenyl)sulfinylcyclopentan-1-one has a molecular weight of 242.73 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfinylcyclopentan-1-one is sourced from PubChem (CID 64724714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).