imidazo[1,2-a]pyridine-3-sulfonyl chloride

• ChemBase ID: 310092
• Molecular Formular: C7H5ClN2O2S
• Molecular Mass: 216.6448
• Monoisotopic Mass: 215.97602609
• SMILES: c1(S(=O)(=O)Cl)n2c(nc1)cccc2
• Canonical SMILES: ClS(=O)(=O)c1cnc2n1cccc2
• InChI: InChI=1S/C7H5ClN2O2S/c8-13(11,12)7-5-9-6-3-1-2-4-10(6)7/h1-5H
• InChIKey: YUTXXNKKOHPXOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-3-sulfonyl chloride
• IUPAC Traditional name: imidazo[1,2-a]pyridine-3-sulfonyl chloride
• Synonyms: imidazo[1,2-a]pyridine-3-sulfonyl chloride

Database IDs

• CAS Number: 499770-78-4
• MDL Number: MFCD03407340

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7921203
• LogD (pH = 7.4): 0.7951052
• Log P: 0.7951435
• Molar Refractivity: 49.3839 cm^3
• Polarizability: 19.440619 Å^3
• Polar Surface Area: 51.44 Å^2