[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

C12H16F3N3O2S — CID 71985390

IUPAC[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)10-2-1-5-17-11(10)18-6-3-9(4-7-18)8-21(16,19)20/h1-2,5,9H,3-4,6-8H2,(H2,16,19,20)
InChIKeyNQNJJQAFFUFRAR-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.61
Rot. Bonds3

About [1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 71985390) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID71985390
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)10-2-1-5-17-11(10)18-6-3-9(4-7-18)8-21(16,19)20/h1-2,5,9H,3-4,6-8H2,(H2,16,19,20)
InChIKeyNQNJJQAFFUFRAR-UHFFFAOYSA-N
XLogP1.61
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of [1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 71985390) is [1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for [1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for [1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is NS(=O)(=O)CC1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of [1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is NQNJJQAFFUFRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c13-12(14,15)10-2-1-5-17-11(10)18-6-3-9(4-7-18)8-21(16,19)20/h1-2,5,9H,3-4,6-8H2,(H2,16,19,20).
What are the key properties of [1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 323.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 71985390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).