2-aminoquinoxaline-6-sulfonamide

• ChemBase ID: 282050
• Molecular Formular: C8H8N4O2S
• Molecular Mass: 224.23972
• Monoisotopic Mass: 224.03679652
• SMILES: S(=O)(=O)(c1cc2ncc(nc2cc1)N)N
• Canonical SMILES: Nc1cnc2c(n1)ccc(c2)S(=O)(=O)N
• InChI: InChI=1S/C8H8N4O2S/c9-8-4-11-7-3-5(15(10,13)14)1-2-6(7)12-8/h1-4H,(H2,9,12)(H2,10,13,14)
• InChIKey: GZICEHIGXZUJFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoquinoxaline-6-sulfonamide
• IUPAC Traditional name: 2-aminoquinoxaline-6-sulfonamide
• Synonyms: 2-aminoquinoxaline-6-sulfonamide

Database IDs

• MDL Number: MFCD16990708
• PubChem SID: 180667581
• PubChem CID: 50989703

CALCULATED PROPERTIES

• Acid pKa: 10.120456
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.32980573
• LogD (pH = 7.4): -0.33009648
• Log P: -0.3293593
• Molar Refractivity: 54.6222 cm^3
• Polarizability: 22.486252 Å^3
• Polar Surface Area: 111.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.278

Product Information

• Purity: 95%