2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

C14H15ClF3NOS — CID 2746769

IUPAC2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CSc1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H15ClF3NOS/c15-11-1-3-12(4-2-11)21-9-13(20)19-7-5-10(6-8-19)14(16,17)18/h1-4,10H,5-9H2
InChIKeyQPUMHSLZOIAHJM-UHFFFAOYSA-N
MW337.79 g/mol
LogP4.23
Rot. Bonds3

About 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 2746769) has the molecular formula C14H15ClF3NOS and a molecular weight of 337.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID2746769
Molecular FormulaC14H15ClF3NOS
Molecular Weight337.79 g/mol
Exact Mass337.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CSc1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H15ClF3NOS/c15-11-1-3-12(4-2-11)21-9-13(20)19-7-5-10(6-8-19)14(16,17)18/h1-4,10H,5-9H2
InChIKeyQPUMHSLZOIAHJM-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 2746769) is 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CSc1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is QPUMHSLZOIAHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NOS/c15-11-1-3-12(4-2-11)21-9-13(20)19-7-5-10(6-8-19)14(16,17)18/h1-4,10H,5-9H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 337.79 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 2746769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).