5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine

C17H13F2N3O2S — CID 90314323

IUPAC5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine
SMILESCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1F
InChIInChI=1S/C17H13F2N3O2S/c1-25(23,24)14-5-3-2-4-10(14)11-6-7-12(17(19)16(11)18)13-8-22-15(20)9-21-13/h2-9H,1H3,(H2,20,22)
InChIKeyIUANZCPBZWQDOK-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.07
Rot. Bonds3

About 5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine

5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine (PubChem CID 90314323) has the molecular formula C17H13F2N3O2S and a molecular weight of 361.37 g/mol. Its IUPAC name is 5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine
PubChem CID90314323
Molecular FormulaC17H13F2N3O2S
Molecular Weight361.37 g/mol
Exact Mass361.07
IUPAC Name5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine
SMILESCS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1F
InChIInChI=1S/C17H13F2N3O2S/c1-25(23,24)14-5-3-2-4-10(14)11-6-7-12(17(19)16(11)18)13-8-22-15(20)9-21-13/h2-9H,1H3,(H2,20,22)
InChIKeyIUANZCPBZWQDOK-UHFFFAOYSA-N
XLogP3.07
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine (CID 90314323) is 5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine is CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1F.
What is the InChIKey of 5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine?
The InChIKey is IUANZCPBZWQDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2S/c1-25(23,24)14-5-3-2-4-10(14)11-6-7-12(17(19)16(11)18)13-8-22-15(20)9-21-13/h2-9H,1H3,(H2,20,22).
What are the key properties of 5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine?
5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine has a molecular weight of 361.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 90314323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).