5,6-dichloropyridine-3-sulfonamide

• ChemBase ID: 282568
• Molecular Formular: C5H4Cl2N2O2S
• Molecular Mass: 227.06846
• Monoisotopic Mass: 225.93705374
• SMILES: S(=O)(=O)(c1cc(c(nc1)Cl)Cl)N
• Canonical SMILES: Clc1ncc(cc1Cl)S(=O)(=O)N
• InChI: InChI=1S/C5H4Cl2N2O2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H,(H2,8,10,11)
• InChIKey: MSUQCJKXHIGCMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dichloropyridine-3-sulfonamide
• IUPAC Traditional name: 5,6-dichloropyridine-3-sulfonamide
• Synonyms: 5,6-dichloropyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD06299487
• PubChem SID: 180668099
• PubChem CID: 4730921

CALCULATED PROPERTIES

• Acid pKa: 8.420039
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.78940845
• LogD (pH = 7.4): 0.7549658
• Log P: 0.7898707
• Molar Refractivity: 46.7299 cm^3
• Polarizability: 18.815945 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.139

Product Information

• Purity: 95%