4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide

C21H26F3N3O2S — CID 68555447

IUPAC4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCN(c3ncccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C21H26F3N3O2S/c1-20(2,3)15-6-8-17(9-7-15)30(28,29)26-16-10-13-27(14-11-16)19-18(21(22,23)24)5-4-12-25-19/h4-9,12,16,26H,10-11,13-14H2,1-3H3
InChIKeyUALYWGHCVRJOLT-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.35
Rot. Bonds4

About 4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide

4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 68555447) has the molecular formula C21H26F3N3O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide
PubChem CID68555447
Molecular FormulaC21H26F3N3O2S
Molecular Weight441.52 g/mol
Exact Mass441.17
IUPAC Name4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCN(c3ncccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C21H26F3N3O2S/c1-20(2,3)15-6-8-17(9-7-15)30(28,29)26-16-10-13-27(14-11-16)19-18(21(22,23)24)5-4-12-25-19/h4-9,12,16,26H,10-11,13-14H2,1-3H3
InChIKeyUALYWGHCVRJOLT-UHFFFAOYSA-N
XLogP4.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide 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 4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide (CID 68555447) is 4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NC2CCN(c3ncccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is UALYWGHCVRJOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O2S/c1-20(2,3)15-6-8-17(9-7-15)30(28,29)26-16-10-13-27(14-11-16)19-18(21(22,23)24)5-4-12-25-19/h4-9,12,16,26H,10-11,13-14H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide?
4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 441.52 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 68555447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).