3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile

C12H9N3O3S — CID 60620396

IUPAC3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile
SMILESCS(=O)(=O)c1cccc(Oc2nccnc2C#N)c1
InChIInChI=1S/C12H9N3O3S/c1-19(16,17)10-4-2-3-9(7-10)18-12-11(8-13)14-5-6-15-12/h2-7H,1H3
InChIKeyNFJXADNFGQWYCK-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.54
Rot. Bonds3

About 3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile

3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile (PubChem CID 60620396) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile
PubChem CID60620396
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC Name3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile
SMILESCS(=O)(=O)c1cccc(Oc2nccnc2C#N)c1
InChIInChI=1S/C12H9N3O3S/c1-19(16,17)10-4-2-3-9(7-10)18-12-11(8-13)14-5-6-15-12/h2-7H,1H3
InChIKeyNFJXADNFGQWYCK-UHFFFAOYSA-N
XLogP1.54
TPSA92.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile
CID 60924024
3-naphthalen-2-yloxypyrazine-2-carbonitrile
CID 60620344
4-bromo-2-(3-methylsulfonylphenoxy)benzonitrile
CID 114902433
3-chloro-2-(3-methylsulfonylphenoxy)pyridine-4-carboxylic acid
CID 107063434
2-amino-5-(3-methylsulfonylphenoxy)benzonitrile
CID 115499811
3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050
3-(4-amino-3-methylphenoxy)pyrazine-2-carbonitrile
CID 62672549
3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile
CID 62684225
3-chloro-5-(chloromethyl)-2-(3-methylsulfonylphenoxy)pyridine
CID 61267710
[5-chloro-6-(3-methylsulfonylphenoxy)-3-pyridinyl]methanol
CID 61256942
3,5-dichloro-6-(3-methylsulfonylphenoxy)pyridin-2-amine
CID 102760799
4-[(3-methylsulfonylphenoxy)methyl]benzonitrile
CID 43612912

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile (CID 60620396) is 3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile is CS(=O)(=O)c1cccc(Oc2nccnc2C#N)c1.
What is the InChIKey of 3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile?
The InChIKey is NFJXADNFGQWYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c1-19(16,17)10-4-2-3-9(7-10)18-12-11(8-13)14-5-6-15-12/h2-7H,1H3.
What are the key properties of 3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile?
3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile has a molecular weight of 275.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylphenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 60620396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).