5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one

C15H18F3NO3S — CID 45255522

IUPAC5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one
SMILESCC(C)(C1CCC(=O)NC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO3S/c1-14(2,11-6-7-13(20)19-9-11)23(21,22)12-5-3-4-10(8-12)15(16,17)18/h3-5,8,11H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyUKTWPHXIKJUOHF-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.78
Rot. Bonds3

About 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one

5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one (PubChem CID 45255522) has the molecular formula C15H18F3NO3S and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one.

Molecular Properties

Compound Name5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one
PubChem CID45255522
Molecular FormulaC15H18F3NO3S
Molecular Weight349.37 g/mol
Exact Mass349.10
IUPAC Name5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one
SMILESCC(C)(C1CCC(=O)NC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO3S/c1-14(2,11-6-7-13(20)19-9-11)23(21,22)12-5-3-4-10(8-12)15(16,17)18/h3-5,8,11H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyUKTWPHXIKJUOHF-UHFFFAOYSA-N
XLogP2.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one?
The IUPAC name of 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one (CID 45255522) is 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one.
What is the SMILES notation for 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one?
The canonical SMILES for 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one is CC(C)(C1CCC(=O)NC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one?
The InChIKey is UKTWPHXIKJUOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3S/c1-14(2,11-6-7-13(20)19-9-11)23(21,22)12-5-3-4-10(8-12)15(16,17)18/h3-5,8,11H,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one?
5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one has a molecular weight of 349.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one is sourced from PubChem (CID 45255522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).