6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile

C15H14N4O3S — CID 174686065

IUPAC6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile
SMILES[H]/N=C(/CC(C)S(=O)(=O)c1ccc(O)cc1)c1cncc(C#N)n1
InChIInChI=1S/C15H14N4O3S/c1-10(23(21,22)13-4-2-12(20)3-5-13)6-14(17)15-9-18-8-11(7-16)19-15/h2-5,8-10,17,20H,6H2,1H3/b17-14-
InChIKeyFILGBOHSUSRKOH-VKAVYKQESA-N
MW330.37 g/mol
LogP1.67
Rot. Bonds5

About 6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile

6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile (PubChem CID 174686065) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile
PubChem CID174686065
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile
SMILES[H]/N=C(/CC(C)S(=O)(=O)c1ccc(O)cc1)c1cncc(C#N)n1
InChIInChI=1S/C15H14N4O3S/c1-10(23(21,22)13-4-2-12(20)3-5-13)6-14(17)15-9-18-8-11(7-16)19-15/h2-5,8-10,17,20H,6H2,1H3/b17-14-
InChIKeyFILGBOHSUSRKOH-VKAVYKQESA-N
XLogP1.67
TPSA127.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-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 6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile?
The IUPAC name of 6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile (CID 174686065) is 6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile?
The canonical SMILES for 6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile is [H]/N=C(/CC(C)S(=O)(=O)c1ccc(O)cc1)c1cncc(C#N)n1.
What is the InChIKey of 6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile?
The InChIKey is FILGBOHSUSRKOH-VKAVYKQESA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-10(23(21,22)13-4-2-12(20)3-5-13)6-14(17)15-9-18-8-11(7-16)19-15/h2-5,8-10,17,20H,6H2,1H3/b17-14-.
What are the key properties of 6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile?
6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile has a molecular weight of 330.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-hydroxyphenyl)sulfonylbutanimidoyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 174686065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).