2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone

C14H18ClNO3S — CID 71805667

IUPAC2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone
SMILESCS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClNO3S/c1-20(18,19)12-6-8-16(9-7-12)14(17)10-11-4-2-3-5-13(11)15/h2-5,12H,6-10H2,1H3
InChIKeyYADVQSHYZCHWJK-UHFFFAOYSA-N
MW315.82 g/mol
LogP1.92
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone

2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone (PubChem CID 71805667) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone
PubChem CID71805667
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone
SMILESCS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClNO3S/c1-20(18,19)12-6-8-16(9-7-12)14(17)10-11-4-2-3-5-13(11)15/h2-5,12H,6-10H2,1H3
InChIKeyYADVQSHYZCHWJK-UHFFFAOYSA-N
XLogP1.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone (CID 71805667) is 2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone is CS(=O)(=O)C1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone?
The InChIKey is YADVQSHYZCHWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-20(18,19)12-6-8-16(9-7-12)14(17)10-11-4-2-3-5-13(11)15/h2-5,12H,6-10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone?
2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone has a molecular weight of 315.82 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)ethanone is sourced from PubChem (CID 71805667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).