3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide

C15H19F3N2O4S — CID 75277369

IUPAC3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide
SMILESO=C(CCC1CCNCC1)NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H19F3N2O4S/c16-15(17,18)24-12-3-1-2-4-13(12)25(22,23)20-14(21)6-5-11-7-9-19-10-8-11/h1-4,11,19H,5-10H2,(H,20,21)
InChIKeyGEYPQDLUWKGWHC-UHFFFAOYSA-N
MW380.39 g/mol
LogP2.17
Rot. Bonds6

About 3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide

3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide (PubChem CID 75277369) has the molecular formula C15H19F3N2O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide
PubChem CID75277369
Molecular FormulaC15H19F3N2O4S
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC Name3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide
SMILESO=C(CCC1CCNCC1)NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H19F3N2O4S/c16-15(17,18)24-12-3-1-2-4-13(12)25(22,23)20-14(21)6-5-11-7-9-19-10-8-11/h1-4,11,19H,5-10H2,(H,20,21)
InChIKeyGEYPQDLUWKGWHC-UHFFFAOYSA-N
XLogP2.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide?
The IUPAC name of 3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide (CID 75277369) is 3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide is O=C(CCC1CCNCC1)NS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide?
The InChIKey is GEYPQDLUWKGWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4S/c16-15(17,18)24-12-3-1-2-4-13(12)25(22,23)20-14(21)6-5-11-7-9-19-10-8-11/h1-4,11,19H,5-10H2,(H,20,21).
What are the key properties of 3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide?
3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide has a molecular weight of 380.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[2-(trifluoromethoxy)phenyl]sulfonylpropanamide is sourced from PubChem (CID 75277369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).