2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile

C17H15F2N3O3S — CID 71799063

IUPAC2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C17H15F2N3O3S/c18-14-4-1-5-15(19)16(14)26(23,24)22-9-6-13(7-10-22)25-17-12(11-20)3-2-8-21-17/h1-5,8,13H,6-7,9-10H2
InChIKeySACOLJCCCSJTRW-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.46
Rot. Bonds4

About 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile

2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71799063) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71799063
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C17H15F2N3O3S/c18-14-4-1-5-15(19)16(14)26(23,24)22-9-6-13(7-10-22)25-17-12(11-20)3-2-8-21-17/h1-5,8,13H,6-7,9-10H2
InChIKeySACOLJCCCSJTRW-UHFFFAOYSA-N
XLogP2.46
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile 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-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile (CID 71799063) is 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile is N#Cc1cccnc1OC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is SACOLJCCCSJTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c18-14-4-1-5-15(19)16(14)26(23,24)22-9-6-13(7-10-22)25-17-12(11-20)3-2-8-21-17/h1-5,8,13H,6-7,9-10H2.
What are the key properties of 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile?
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 379.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71799063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).