2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone

C15H19ClO2S — CID 103291169

IUPAC2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone
SMILESO=C(CS(=O)Cc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H19ClO2S/c16-14-9-5-4-8-13(14)10-19(18)11-15(17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKeyGZAQRGUWCIHGMY-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.74
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone

2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone (PubChem CID 103291169) has the molecular formula C15H19ClO2S and a molecular weight of 298.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone
PubChem CID103291169
Molecular FormulaC15H19ClO2S
Molecular Weight298.83 g/mol
Exact Mass298.08
IUPAC Name2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone
SMILESO=C(CS(=O)Cc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H19ClO2S/c16-14-9-5-4-8-13(14)10-19(18)11-15(17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKeyGZAQRGUWCIHGMY-UHFFFAOYSA-N
XLogP3.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine
CID 103290291
2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
CID 103289117
2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone
CID 103291146
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 100701243
1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone
CID 104756236
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599468
1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone
CID 113449628
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-[(2-methylphenyl)methylsulfinyl]-1-(oxolan-3-yl)ethanone
CID 104756209

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone (CID 103291169) is 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone is O=C(CS(=O)Cc1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone?
The InChIKey is GZAQRGUWCIHGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2S/c16-14-9-5-4-8-13(14)10-19(18)11-15(17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2.
What are the key properties of 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone?
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone has a molecular weight of 298.83 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanone is sourced from PubChem (CID 103291169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).