6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide

C12H17F3N2O2S — CID 69115799

IUPAC6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1C=CC=CC1(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H17F3N2O2S/c13-12(14,15)11(9-4-7-17-8-5-9)6-2-1-3-10(11)20(16,18)19/h1-3,6,9-10,17H,4-5,7-8H2,(H2,16,18,19)
InChIKeyZFBVGYSZFNAEQZ-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.32
Rot. Bonds2

About 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide

6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide (PubChem CID 69115799) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
PubChem CID69115799
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1C=CC=CC1(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H17F3N2O2S/c13-12(14,15)11(9-4-7-17-8-5-9)6-2-1-3-10(11)20(16,18)19/h1-3,6,9-10,17H,4-5,7-8H2,(H2,16,18,19)
InChIKeyZFBVGYSZFNAEQZ-UHFFFAOYSA-N
XLogP1.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-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 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide (CID 69115799) is 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide is NS(=O)(=O)C1C=CC=CC1(C1CCNCC1)C(F)(F)F.
What is the InChIKey of 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is ZFBVGYSZFNAEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c13-12(14,15)11(9-4-7-17-8-5-9)6-2-1-3-10(11)20(16,18)19/h1-3,6,9-10,17H,4-5,7-8H2,(H2,16,18,19).
What are the key properties of 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide?
6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 310.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 69115799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).