2-(4-methylphenyl)sulfonylpyrazine

C11H10N2O2S — CID 7184984

IUPAC2-(4-methylphenyl)sulfonylpyrazine
SMILESCc1ccc(S(=O)(=O)c2cnccn2)cc1
InChIInChI=1S/C11H10N2O2S/c1-9-2-4-10(5-3-9)16(14,15)11-8-12-6-7-13-11/h2-8H,1H3
InChIKeyJHERTIGOBAKFDG-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.62
Rot. Bonds2

About 2-(4-methylphenyl)sulfonylpyrazine

2-(4-methylphenyl)sulfonylpyrazine (PubChem CID 7184984) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonylpyrazine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonylpyrazine
PubChem CID7184984
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-(4-methylphenyl)sulfonylpyrazine
SMILESCc1ccc(S(=O)(=O)c2cnccn2)cc1
InChIInChI=1S/C11H10N2O2S/c1-9-2-4-10(5-3-9)16(14,15)11-8-12-6-7-13-11/h2-8H,1H3
InChIKeyJHERTIGOBAKFDG-UHFFFAOYSA-N
XLogP1.62
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonylpyrazine?
The IUPAC name of 2-(4-methylphenyl)sulfonylpyrazine (CID 7184984) is 2-(4-methylphenyl)sulfonylpyrazine.
What is the SMILES notation for 2-(4-methylphenyl)sulfonylpyrazine?
The canonical SMILES for 2-(4-methylphenyl)sulfonylpyrazine is Cc1ccc(S(=O)(=O)c2cnccn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonylpyrazine?
The InChIKey is JHERTIGOBAKFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-9-2-4-10(5-3-9)16(14,15)11-8-12-6-7-13-11/h2-8H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonylpyrazine?
2-(4-methylphenyl)sulfonylpyrazine has a molecular weight of 234.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonylpyrazine is sourced from PubChem (CID 7184984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).