2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine

C12H9ClF2N2O3S — CID 89258439

IUPAC2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine
SMILESCS(=O)(=O)c1ccc(OCc2cnc(Cl)cn2)c(F)c1F
InChIInChI=1S/C12H9ClF2N2O3S/c1-21(18,19)9-3-2-8(11(14)12(9)15)20-6-7-4-17-10(13)5-16-7/h2-5H,6H2,1H3
InChIKeyPVXMMOUKOUEOJH-UHFFFAOYSA-N
MW334.73 g/mol
LogP2.39
Rot. Bonds4

About 2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine

2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine (PubChem CID 89258439) has the molecular formula C12H9ClF2N2O3S and a molecular weight of 334.73 g/mol. Its IUPAC name is 2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine
PubChem CID89258439
Molecular FormulaC12H9ClF2N2O3S
Molecular Weight334.73 g/mol
Exact Mass334.00
IUPAC Name2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine
SMILESCS(=O)(=O)c1ccc(OCc2cnc(Cl)cn2)c(F)c1F
InChIInChI=1S/C12H9ClF2N2O3S/c1-21(18,19)9-3-2-8(11(14)12(9)15)20-6-7-4-17-10(13)5-16-7/h2-5H,6H2,1H3
InChIKeyPVXMMOUKOUEOJH-UHFFFAOYSA-N
XLogP2.39
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine (CID 89258439) is 2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine is CS(=O)(=O)c1ccc(OCc2cnc(Cl)cn2)c(F)c1F.
What is the InChIKey of 2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine?
The InChIKey is PVXMMOUKOUEOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O3S/c1-21(18,19)9-3-2-8(11(14)12(9)15)20-6-7-4-17-10(13)5-16-7/h2-5H,6H2,1H3.
What are the key properties of 2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine?
2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine has a molecular weight of 334.73 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,3-difluoro-4-methylsulfonylphenoxy)methyl]pyrazine is sourced from PubChem (CID 89258439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).