3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide

C10H7F2N3O2S — CID 22772893

IUPAC3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnccn1)c1ccc(F)c(F)c1
InChIInChI=1S/C10H7F2N3O2S/c11-8-2-1-7(5-9(8)12)18(16,17)15-10-6-13-3-4-14-10/h1-6H,(H,14,15)
InChIKeyFWHKGPBQCWXDCA-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.56
Rot. Bonds3

About 3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide

3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 22772893) has the molecular formula C10H7F2N3O2S and a molecular weight of 271.25 g/mol. Its IUPAC name is 3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID22772893
Molecular FormulaC10H7F2N3O2S
Molecular Weight271.25 g/mol
Exact Mass271.02
IUPAC Name3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnccn1)c1ccc(F)c(F)c1
InChIInChI=1S/C10H7F2N3O2S/c11-8-2-1-7(5-9(8)12)18(16,17)15-10-6-13-3-4-14-10/h1-6H,(H,14,15)
InChIKeyFWHKGPBQCWXDCA-UHFFFAOYSA-N
XLogP1.56
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide (CID 22772893) is 3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide is O=S(=O)(Nc1cnccn1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is FWHKGPBQCWXDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2S/c11-8-2-1-7(5-9(8)12)18(16,17)15-10-6-13-3-4-14-10/h1-6H,(H,14,15).
What are the key properties of 3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide?
3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 271.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 22772893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).