2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide

C11H17F3N4O2S — CID 104709473

IUPAC2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H17F3N4O2S/c1-17-10(4-7-16-17)21(19,20)18(8-11(12,13)14)9-2-5-15-6-3-9/h4,7,9,15H,2-3,5-6,8H2,1H3
InChIKeyQNJHAUWFEGYSOA-UHFFFAOYSA-N
MW326.34 g/mol
LogP0.73
Rot. Bonds4

About 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide

2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide (PubChem CID 104709473) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
PubChem CID104709473
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC Name2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H17F3N4O2S/c1-17-10(4-7-16-17)21(19,20)18(8-11(12,13)14)9-2-5-15-6-3-9/h4,7,9,15H,2-3,5-6,8H2,1H3
InChIKeyQNJHAUWFEGYSOA-UHFFFAOYSA-N
XLogP0.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide (CID 104709473) is 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide?
The InChIKey is QNJHAUWFEGYSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-17-10(4-7-16-17)21(19,20)18(8-11(12,13)14)9-2-5-15-6-3-9/h4,7,9,15H,2-3,5-6,8H2,1H3.
What are the key properties of 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide?
2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide has a molecular weight of 326.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 104709473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).