6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine

C14H11N3O2S2 — CID 133301281

IUPAC6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine
SMILESCS(=O)(=O)c1ccc(Sc2ccc3nccnc3n2)cc1
InChIInChI=1S/C14H11N3O2S2/c1-21(18,19)11-4-2-10(3-5-11)20-13-7-6-12-14(17-13)16-9-8-15-12/h2-9H,1H3
InChIKeyGSAFXNRRVPTVLL-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.58
Rot. Bonds3

About 6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine

6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine (PubChem CID 133301281) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine
PubChem CID133301281
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC Name6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine
SMILESCS(=O)(=O)c1ccc(Sc2ccc3nccnc3n2)cc1
InChIInChI=1S/C14H11N3O2S2/c1-21(18,19)11-4-2-10(3-5-11)20-13-7-6-12-14(17-13)16-9-8-15-12/h2-9H,1H3
InChIKeyGSAFXNRRVPTVLL-UHFFFAOYSA-N
XLogP2.58
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine?
The IUPAC name of 6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine (CID 133301281) is 6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine?
The canonical SMILES for 6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine is CS(=O)(=O)c1ccc(Sc2ccc3nccnc3n2)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine?
The InChIKey is GSAFXNRRVPTVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-21(18,19)11-4-2-10(3-5-11)20-13-7-6-12-14(17-13)16-9-8-15-12/h2-9H,1H3.
What are the key properties of 6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine?
6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine has a molecular weight of 317.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)sulfanylpyrido[2,3-b]pyrazine is sourced from PubChem (CID 133301281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).