2-chloroimidazo[1,2-a]pyridine-3-sulfonamide

• ChemBase ID: 265686
• Molecular Formular: C7H6ClN3O2S
• Molecular Mass: 231.65944
• Monoisotopic Mass: 230.98692513
• SMILES: c1(n2c(nc1Cl)cccc2)S(=O)(=O)N
• Canonical SMILES: Clc1nc2n(c1S(=O)(=O)N)cccc2
• InChI: InChI=1S/C7H6ClN3O2S/c8-6-7(14(9,12)13)11-4-2-1-3-5(11)10-6/h1-4H,(H2,9,12,13)
• InChIKey: BXXPRKKQWHQWRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloroimidazo[1,2-a]pyridine-3-sulfonamide
• IUPAC Traditional name: 2-chloroimidazo[1,2-a]pyridine-3-sulfonamide
• Synonyms: 2-chloroimidazo[1,2-a]pyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD09751237
• PubChem SID: 164321596
• PubChem CID: 14422354

CALCULATED PROPERTIES

• Acid pKa: 9.862757
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2790445
• LogD (pH = 7.4): 0.27776948
• Log P: 0.27909306
• Molar Refractivity: 53.2137 cm^3
• Polarizability: 20.688917 Å^3
• Polar Surface Area: 77.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): 0.916

Product Information

• Purity: 95%