5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile

C11H6ClN3S — CID 63659452

IUPAC5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile
SMILESN#Cc1cnc(Sc2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H6ClN3S/c12-8-1-3-10(4-2-8)16-11-7-14-9(5-13)6-15-11/h1-4,6-7H
InChIKeyLUVABMSSJHSZPK-UHFFFAOYSA-N
MW247.71 g/mol
LogP3.15
Rot. Bonds2

About 5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile

5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile (PubChem CID 63659452) has the molecular formula C11H6ClN3S and a molecular weight of 247.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile
PubChem CID63659452
Molecular FormulaC11H6ClN3S
Molecular Weight247.71 g/mol
Exact Mass247.00
IUPAC Name5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile
SMILESN#Cc1cnc(Sc2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H6ClN3S/c12-8-1-3-10(4-2-8)16-11-7-14-9(5-13)6-15-11/h1-4,6-7H
InChIKeyLUVABMSSJHSZPK-UHFFFAOYSA-N
XLogP3.15
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)sulfanylpyrazine-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 5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile (CID 63659452) is 5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile is N#Cc1cnc(Sc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile?
The InChIKey is LUVABMSSJHSZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3S/c12-8-1-3-10(4-2-8)16-11-7-14-9(5-13)6-15-11/h1-4,6-7H.
What are the key properties of 5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile?
5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile has a molecular weight of 247.71 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile is sourced from PubChem (CID 63659452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).