1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonyl chloride

• ChemBase ID: 58393
• Molecular Formular: C10H9ClN2O4S
• Molecular Mass: 288.70746
• Monoisotopic Mass: 287.99715546
• SMILES: c1(ccc2c(c1)n(c(=O)c(=O)n2C)C)S(=O)(=O)Cl
• Canonical SMILES: Cn1c2cc(ccc2n(c(=O)c1=O)C)S(=O)(=O)Cl
• InChI: InChI=1S/C10H9ClN2O4S/c1-12-7-4-3-6(18(11,16)17)5-8(7)13(2)10(15)9(12)14/h3-5H,1-2H3
• InChIKey: LFTMAKYIKMUGJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonyl chloride
• IUPAC Traditional name: 1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonyl chloride
• Synonyms: 1,4-Dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonyl chloride

Database IDs

• MDL Number: MFCD15146486
• PubChem SID: 162063156
• PubChem CID: 46318333

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.30604157
• LogD (pH = 7.4): 0.30604157
• Log P: 0.30604157
• Molar Refractivity: 65.3612 cm^3
• Polarizability: 25.58657 Å^3
• Polar Surface Area: 74.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false