4,5-dichloropyridine-3-sulfonyl chloride

• ChemBase ID: 248350
• Molecular Formular: C5H2Cl3NO2S
• Molecular Mass: 246.49888
• Monoisotopic Mass: 244.88718235
• SMILES: S(=O)(=O)(c1c(c(Cl)cnc1)Cl)Cl
• Canonical SMILES: Clc1cncc(c1Cl)S(=O)(=O)Cl
• InChI: InChI=1S/C5H2Cl3NO2S/c6-3-1-9-2-4(5(3)7)12(8,10)11/h1-2H
• InChIKey: RKXHGORYRFDXNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dichloropyridine-3-sulfonyl chloride
• IUPAC Traditional name: 4,5-dichloropyridine-3-sulfonyl chloride
• Synonyms: 4,5-dichloropyridine-3-sulfonyl chloride

Database IDs

• MDL Number: MFCD20529929
• PubChem SID: 164304260
• PubChem CID: 71691540

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9099658
• LogD (pH = 7.4): 1.9099658
• Log P: 1.9099658
• Molar Refractivity: 47.7049 cm^3
• Polarizability: 19.6071 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.092

Product Information

• Purity: null%