2,6-dichloropyridine-3-sulfonamide

• ChemBase ID: 267071
• Molecular Formular: C5H4Cl2N2O2S
• Molecular Mass: 227.06846
• Monoisotopic Mass: 225.93705374
• SMILES: S(=O)(=O)(c1c(nc(cc1)Cl)Cl)N
• Canonical SMILES: Clc1nc(Cl)ccc1S(=O)(=O)N
• InChI: InChI=1S/C5H4Cl2N2O2S/c6-4-2-1-3(5(7)9-4)12(8,10)11/h1-2H,(H2,8,10,11)
• InChIKey: SJBIXZKLHHLQIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloropyridine-3-sulfonamide
• IUPAC Traditional name: 2,6-dichloropyridine-3-sulfonamide
• Synonyms: 2,6-dichloropyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD15142801
• PubChem SID: 164322981
• PubChem CID: 47002922

CALCULATED PROPERTIES

• Acid pKa: 8.067794
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0090085
• LogD (pH = 7.4): 0.93602693
• Log P: 1.0100479
• Molar Refractivity: 47.7912 cm^3
• Polarizability: 18.857845 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 0.959

Product Information

• Purity: 95%