6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile

C15H12ClFN4O2S — CID 67495769

IUPAC6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCC(S(=O)(=O)c3ccc(F)cc3Cl)C2)n1
InChIInChI=1S/C15H12ClFN4O2S/c16-13-5-10(17)1-2-14(13)24(22,23)12-3-4-21(9-12)15-8-19-7-11(6-18)20-15/h1-2,5,7-8,12H,3-4,9H2
InChIKeyHWLPHWZXMLSNLA-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.19
Rot. Bonds3

About 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile

6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 67495769) has the molecular formula C15H12ClFN4O2S and a molecular weight of 366.81 g/mol. Its IUPAC name is 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID67495769
Molecular FormulaC15H12ClFN4O2S
Molecular Weight366.81 g/mol
Exact Mass366.04
IUPAC Name6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCC(S(=O)(=O)c3ccc(F)cc3Cl)C2)n1
InChIInChI=1S/C15H12ClFN4O2S/c16-13-5-10(17)1-2-14(13)24(22,23)12-3-4-21(9-12)15-8-19-7-11(6-18)20-15/h1-2,5,7-8,12H,3-4,9H2
InChIKeyHWLPHWZXMLSNLA-UHFFFAOYSA-N
XLogP2.19
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 67495769) is 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cncc(N2CCC(S(=O)(=O)c3ccc(F)cc3Cl)C2)n1.
What is the InChIKey of 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is HWLPHWZXMLSNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2S/c16-13-5-10(17)1-2-14(13)24(22,23)12-3-4-21(9-12)15-8-19-7-11(6-18)20-15/h1-2,5,7-8,12H,3-4,9H2.
What are the key properties of 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile?
6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 366.81 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 67495769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).