1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine

C14H17ClF3NO2S — CID 597268

IUPAC1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
SMILESO=S(=O)(CCN1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClF3NO2S/c15-12-1-3-13(4-2-12)22(20,21)10-9-19-7-5-11(6-8-19)14(16,17)18/h1-4,11H,5-10H2
InChIKeyTWKREIDQTZTCNS-UHFFFAOYSA-N
MW355.81 g/mol
LogP3.39
Rot. Bonds4

About 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine

1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine (PubChem CID 597268) has the molecular formula C14H17ClF3NO2S and a molecular weight of 355.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
PubChem CID597268
Molecular FormulaC14H17ClF3NO2S
Molecular Weight355.81 g/mol
Exact Mass355.06
IUPAC Name1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
SMILESO=S(=O)(CCN1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClF3NO2S/c15-12-1-3-13(4-2-12)22(20,21)10-9-19-7-5-11(6-8-19)14(16,17)18/h1-4,11H,5-10H2
InChIKeyTWKREIDQTZTCNS-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine (CID 597268) is 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine is O=S(=O)(CCN1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine?
The InChIKey is TWKREIDQTZTCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO2S/c15-12-1-3-13(4-2-12)22(20,21)10-9-19-7-5-11(6-8-19)14(16,17)18/h1-4,11H,5-10H2.
What are the key properties of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine?
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine has a molecular weight of 355.81 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 597268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).