3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C15H12F2N4O3S — CID 90636789

IUPAC3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C15H12F2N4O3S/c16-11-2-1-3-12(17)14(11)25(22,23)21-7-4-10(9-21)24-15-13(8-18)19-5-6-20-15/h1-3,5-6,10H,4,7,9H2
InChIKeyGLWJWBKOPWMHOB-UHFFFAOYSA-N
MW366.35 g/mol
LogP1.47
Rot. Bonds4

About 3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 90636789) has the molecular formula C15H12F2N4O3S and a molecular weight of 366.35 g/mol. Its IUPAC name is 3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID90636789
Molecular FormulaC15H12F2N4O3S
Molecular Weight366.35 g/mol
Exact Mass366.06
IUPAC Name3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C15H12F2N4O3S/c16-11-2-1-3-12(17)14(11)25(22,23)21-7-4-10(9-21)24-15-13(8-18)19-5-6-20-15/h1-3,5-6,10H,4,7,9H2
InChIKeyGLWJWBKOPWMHOB-UHFFFAOYSA-N
XLogP1.47
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-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 3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 90636789) is 3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1OC1CCN(S(=O)(=O)c2c(F)cccc2F)C1.
What is the InChIKey of 3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is GLWJWBKOPWMHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O3S/c16-11-2-1-3-12(17)14(11)25(22,23)21-7-4-10(9-21)24-15-13(8-18)19-5-6-20-15/h1-3,5-6,10H,4,7,9H2.
What are the key properties of 3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 366.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 90636789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).