1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide

C12H16F3N3O2S — CID 82795263

IUPAC1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)11-2-1-10(7-17-11)18-21(19,20)8-9-3-5-16-6-4-9/h1-2,7,9,16,18H,3-6,8H2
InChIKeyGSGQWEKIIWVAPR-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.84
Rot. Bonds4

About 1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide

1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide (PubChem CID 82795263) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
PubChem CID82795263
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)11-2-1-10(7-17-11)18-21(19,20)8-9-3-5-16-6-4-9/h1-2,7,9,16,18H,3-6,8H2
InChIKeyGSGQWEKIIWVAPR-UHFFFAOYSA-N
XLogP1.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-piperidin-4-yl-N-pyrazin-2-ylmethanesulfonamide
CID 54972590
N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
CID 104779838
N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892291
N-(3,5-dichloro-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
CID 107575670
2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 90261944
1-cyclopropyl-N-(1-piperidin-4-ylpyrazol-4-yl)methanesulfonamide
CID 64989081
1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
CID 55132024
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-sulfonamide
CID 154804913
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588
4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 69185428
N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide
CID 54974058

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of 1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide (CID 82795263) is 1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for 1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for 1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide is O=S(=O)(CC1CCNCC1)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide?
The InChIKey is GSGQWEKIIWVAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c13-12(14,15)11-2-1-10(7-17-11)18-21(19,20)8-9-3-5-16-6-4-9/h1-2,7,9,16,18H,3-6,8H2.
What are the key properties of 1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide?
1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide has a molecular weight of 323.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 82795263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).