6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide

• ChemBase ID: 174121
• Molecular Formular: C14H16N4O3S
• Molecular Mass: 320.36684
• Monoisotopic Mass: 320.09431139
• SMILES: n1c(cncc1C(=O)NCCc1ccc(cc1)S(=O)(=O)N)C
• Canonical SMILES: Cc1cncc(n1)C(=O)NCCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C14H16N4O3S/c1-10-8-16-9-13(18-10)14(19)17-7-6-11-2-4-12(5-3-11)22(15,20)21/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H2,15,20,21)
• InChIKey: ZBULFWLJSYSQEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide
• IUPAC Traditional name: 6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide
• Synonyms: N-[2-[4-(Aminosulfonyl)phenyl]ethyl]-6-methyl-2-pyrazinecarboxamide; 4-[2-(6-Methylpyrazinyl-2-carboxamido)ethyl]benzenesulfonamide; 6-Methyl-N-(p-sulfamoylphenethyl)pyrazinecarboxamide; 4-[β-(6-Methylpyrazinyl-2-carboxamido)ethyl]benzene Sulfonamide

Database IDs

• PubChem SID: 164230031
• PubChem CID: 57374611

CALCULATED PROPERTIES

• Acid pKa: 10.223644
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.25140464
• LogD (pH = 7.4): -0.2519741
• Log P: -0.2513971
• Molar Refractivity: 81.4643 cm^3
• Polarizability: 31.751984 Å^3
• Polar Surface Area: 115.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M325705

An intermediate in the synthesis of the impurity 5-Desmethyl-6-methyl Glipizide (D292550).