2-(ethanesulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide

• ChemBase ID: 90021
• Molecular Formular: C9H11N3O4S2
• Molecular Mass: 289.33134
• Monoisotopic Mass: 289.01909785
• SMILES: n1c2n(c(c1S(=O)(=O)CC)S(=O)(=O)N)cccc2
• Canonical SMILES: CCS(=O)(=O)c1nc2n(c1S(=O)(=O)N)cccc2
• InChI: InChI=1S/C9H11N3O4S2/c1-2-17(13,14)8-9(18(10,15)16)12-6-4-3-5-7(12)11-8/h3-6H,2H2,1H3,(H2,10,15,16)
• InChIKey: MJVXHAPMFSPZRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethanesulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide
• IUPAC Traditional name: 2-(ethanesulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide
• Synonyms: 2-(Ethylsulfonyl)imidazo[1,2-a]pyridine-3-sulfonamide; 2-(Ethylsulphonyl)imidazo[1,2-a]pyridine-3-sulphonamide

Database IDs

• CAS Number: 141776-47-8
• MDL Number: MFCD09743548
• PubChem SID: 162076876
• PubChem CID: 15477602

CALCULATED PROPERTIES

• Acid pKa: 9.272492
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.60143054
• LogD (pH = 7.4): -0.606488
• Log P: -0.60136557
• Molar Refractivity: 66.3303 cm^3
• Polarizability: 26.575375 Å^3
• Polar Surface Area: 111.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%