3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile

C15H13FN4O3S — CID 90636780

IUPAC3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H13FN4O3S/c16-11-2-1-3-13(8-11)24(21,22)20-7-4-12(10-20)23-15-14(9-17)18-5-6-19-15/h1-3,5-6,8,12H,4,7,10H2
InChIKeyNVYLTQNBWMJIJX-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.33
Rot. Bonds4

About 3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 90636780) has the molecular formula C15H13FN4O3S and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID90636780
Molecular FormulaC15H13FN4O3S
Molecular Weight348.36 g/mol
Exact Mass348.07
IUPAC Name3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H13FN4O3S/c16-11-2-1-3-13(8-11)24(21,22)20-7-4-12(10-20)23-15-14(9-17)18-5-6-19-15/h1-3,5-6,8,12H,4,7,10H2
InChIKeyNVYLTQNBWMJIJX-UHFFFAOYSA-N
XLogP1.33
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile (CID 90636780) is 3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1OC1CCN(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of 3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is NVYLTQNBWMJIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3S/c16-11-2-1-3-13(8-11)24(21,22)20-7-4-12(10-20)23-15-14(9-17)18-5-6-19-15/h1-3,5-6,8,12H,4,7,10H2.
What are the key properties of 3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 348.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 90636780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).