2,3-dichloroquinoxaline-6-sulfonyl chloride

• ChemBase ID: 259254
• Molecular Formular: C8H3Cl3N2O2S
• Molecular Mass: 297.54562
• Monoisotopic Mass: 295.89808139
• SMILES: S(=O)(=O)(c1cc2nc(c(nc2cc1)Cl)Cl)Cl
• Canonical SMILES: Clc1nc2ccc(cc2nc1Cl)S(=O)(=O)Cl
• InChI: InChI=1S/C8H3Cl3N2O2S/c9-7-8(10)13-6-3-4(16(11,14)15)1-2-5(6)12-7/h1-3H
• InChIKey: VZLILCJJQCJIRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloroquinoxaline-6-sulfonyl chloride
• IUPAC Traditional name: 2,3-dichloroquinoxaline-6-sulfonyl chloride
• Synonyms: 2,3-dichloroquinoxaline-6-sulfonyl chloride

Database IDs

• MDL Number: MFCD11858002
• PubChem SID: 164315164
• PubChem CID: 13967386

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.893825
• LogD (pH = 7.4): 2.893825
• Log P: 2.893825
• Molar Refractivity: 63.3768 cm^3
• Polarizability: 26.160618 Å^3
• Polar Surface Area: 59.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88 - 90°C
• Hydrophobicity(logP): 0.668

Product Information

• Purity: 95%