3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide

C12H11N3O3S — CID 175401274

IUPAC3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nccnc2C(N)=O)cc1
InChIInChI=1S/C12H11N3O3S/c1-19(17,18)9-4-2-8(3-5-9)10-11(12(13)16)15-7-6-14-10/h2-7H,1H3,(H2,13,16)
InChIKeyCYUWUSKQWHWPST-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.65
Rot. Bonds3

About 3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide

3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide (PubChem CID 175401274) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
PubChem CID175401274
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nccnc2C(N)=O)cc1
InChIInChI=1S/C12H11N3O3S/c1-19(17,18)9-4-2-8(3-5-9)10-11(12(13)16)15-7-6-14-10/h2-7H,1H3,(H2,13,16)
InChIKeyCYUWUSKQWHWPST-UHFFFAOYSA-N
XLogP0.65
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide 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-(4-methylsulfonylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide (CID 175401274) is 3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide is CS(=O)(=O)c1ccc(-c2nccnc2C(N)=O)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide?
The InChIKey is CYUWUSKQWHWPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-19(17,18)9-4-2-8(3-5-9)10-11(12(13)16)15-7-6-14-10/h2-7H,1H3,(H2,13,16).
What are the key properties of 3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide?
3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide has a molecular weight of 277.31 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 175401274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).