2-chloro-N,N-dimethylimidazo[1,2-a]pyridine-3-sulfonamide

• ChemBase ID: 275910
• Molecular Formular: C9H10ClN3O2S
• Molecular Mass: 259.7126
• Monoisotopic Mass: 259.01822526
• SMILES: c1(S(=O)(=O)N(C)C)n2c(nc1Cl)cccc2
• Canonical SMILES: Clc1nc2n(c1S(=O)(=O)N(C)C)cccc2
• InChI: InChI=1S/C9H10ClN3O2S/c1-12(2)16(14,15)9-8(10)11-7-5-3-4-6-13(7)9/h3-6H,1-2H3
• InChIKey: DIVWSRKQUAGGED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12156464
• PubChem SID: 164331820
• PubChem CID: 47254168

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.72641516
• LogD (pH = 7.4): 0.7264448
• Log P: 0.7264452
• Molar Refractivity: 63.0071 cm^3
• Polarizability: 24.32922 Å^3
• Polar Surface Area: 54.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): 1.114

Product Information

• Purity: 95%