4-[(6-methylpyrazin-2-yl)oxy]benzene-1-sulfonyl chloride

• ChemBase ID: 101446
• Molecular Formular: C11H9ClN2O3S
• Molecular Mass: 284.71876
• Monoisotopic Mass: 284.00224084
• SMILES: S(=O)(=O)(c1ccc(Oc2nc(cnc2)C)cc1)Cl
• Canonical SMILES: Cc1cncc(n1)Oc1ccc(cc1)S(=O)(=O)Cl
• InChI: InChI=1S/C11H9ClN2O3S/c1-8-6-13-7-11(14-8)17-9-2-4-10(5-3-9)18(12,15)16/h2-7H,1H3
• InChIKey: GUJMBSPJUZJPEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(6-methylpyrazin-2-yl)oxy]benzene-1-sulfonyl chloride
• IUPAC Traditional name: 4-[(6-methylpyrazin-2-yl)oxy]benzenesulfonyl chloride
• Synonyms: 4-[(6-methylpyrazin-2-yl)oxy]benzenesulfonyl chloride

Database IDs

• CAS Number: 926921-66-6
• MDL Number: MFCD09879936
• PubChem SID: 162089155
• PubChem CID: 24229688

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.710317
• LogD (pH = 7.4): 1.7103188
• Log P: 1.7103189
• Molar Refractivity: 67.0842 cm^3
• Polarizability: 26.743462 Å^3
• Polar Surface Area: 69.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%