6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide

C15H19F6N3O3S — CID 87294909

IUPAC6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(F)CCN(C(CF)CF)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F6N3O3S/c16-6-10(7-17)24-3-1-14(18,2-4-24)9-27-13-12(15(19,20)21)5-11(8-23-13)28(22,25)26/h5,8,10H,1-4,6-7,9H2,(H2,22,25,26)
InChIKeyIQFFWTNWWRNVLS-UHFFFAOYSA-N
MW435.39 g/mol
LogP2.24
Rot. Bonds7

About 6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide

6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 87294909) has the molecular formula C15H19F6N3O3S and a molecular weight of 435.39 g/mol. Its IUPAC name is 6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID87294909
Molecular FormulaC15H19F6N3O3S
Molecular Weight435.39 g/mol
Exact Mass435.11
IUPAC Name6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OCC2(F)CCN(C(CF)CF)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F6N3O3S/c16-6-10(7-17)24-3-1-14(18,2-4-24)9-27-13-12(15(19,20)21)5-11(8-23-13)28(22,25)26/h5,8,10H,1-4,6-7,9H2,(H2,22,25,26)
InChIKeyIQFFWTNWWRNVLS-UHFFFAOYSA-N
XLogP2.24
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-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 6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide (CID 87294909) is 6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide is NS(=O)(=O)c1cnc(OCC2(F)CCN(C(CF)CF)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is IQFFWTNWWRNVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F6N3O3S/c16-6-10(7-17)24-3-1-14(18,2-4-24)9-27-13-12(15(19,20)21)5-11(8-23-13)28(22,25)26/h5,8,10H,1-4,6-7,9H2,(H2,22,25,26).
What are the key properties of 6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide?
6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 435.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(1,3-difluoropropan-2-yl)-4-fluoropiperidin-4-yl]methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 87294909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).