2,3-dichloro-N,N-dimethylquinoxaline-6-sulfonamide

• ChemBase ID: 235166
• Molecular Formular: C10H9Cl2N3O2S
• Molecular Mass: 306.16836
• Monoisotopic Mass: 304.9792529
• SMILES: S(=O)(=O)(c1cc2nc(c(nc2cc1)Cl)Cl)N(C)C
• Canonical SMILES: Clc1nc2ccc(cc2nc1Cl)S(=O)(=O)N(C)C
• InChI: InChI=1S/C10H9Cl2N3O2S/c1-15(2)18(16,17)6-3-4-7-8(5-6)14-10(12)9(11)13-7/h3-5H,1-2H3
• InChIKey: ODSUZZOFDSXGGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-N,N-dimethylquinoxaline-6-sulfonamide
• IUPAC Traditional name: 2,3-dichloro-N,N-dimethylquinoxaline-6-sulfonamide
• Synonyms: 2,3-dichloro-N,N-dimethylquinoxaline-6-sulfonamide

Database IDs

• MDL Number: MFCD02184208
• PubChem SID: 164291076
• PubChem CID: 24845953

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.000905
• LogD (pH = 7.4): 2.000905
• Log P: 2.000905
• Molar Refractivity: 71.1339 cm^3
• Polarizability: 29.014076 Å^3
• Polar Surface Area: 63.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 1.852

Product Information

• Purity: 95%