N,N-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide

• ChemBase ID: 286615
• Molecular Formular: C10H11N3O4S
• Molecular Mass: 269.27704
• Monoisotopic Mass: 269.04702685
• SMILES: S(=O)(=O)(c1cc2[nH]c(=O)c(=O)[nH]c2cc1)N(C)C
• Canonical SMILES: O=c1[nH]c2ccc(cc2[nH]c1=O)S(=O)(=O)N(C)C
• InChI: InChI=1S/C10H11N3O4S/c1-13(2)18(16,17)6-3-4-7-8(5-6)12-10(15)9(14)11-7/h3-5H,1-2H3,(H,11,14)(H,12,15)
• InChIKey: FIIHFCGZSMNUAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
• Synonyms: N,N-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide

Database IDs

• MDL Number: MFCD13547102
• PubChem SID: 180672146
• PubChem CID: 31065283

CALCULATED PROPERTIES

• Acid pKa: 9.9245825
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.31502622
• LogD (pH = 7.4): -0.3162419
• Log P: -0.3150107
• Molar Refractivity: 66.8865 cm^3
• Polarizability: 24.785221 Å^3
• Polar Surface Area: 95.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 319 - 321°C
• Hydrophobicity(logP): -0.897

Product Information

• Purity: 95%