5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-sulfonyl chloride

• ChemBase ID: 246691
• Molecular Formular: C7H9ClN2O2S
• Molecular Mass: 220.67656
• Monoisotopic Mass: 220.00732622
• SMILES: c1(S(=O)(=O)Cl)nc2n(c1)CCCC2
• Canonical SMILES: ClS(=O)(=O)c1nc2n(c1)CCCC2
• InChI: InChI=1S/C7H9ClN2O2S/c8-13(11,12)7-5-10-4-2-1-3-6(10)9-7/h5H,1-4H2
• InChIKey: FTEDHFJCOKFOHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-sulfonyl chloride
• IUPAC Traditional name: 5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-sulfonyl chloride
• Synonyms: 5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-sulfonyl chloride

Database IDs

• PubChem SID: 164302601
• PubChem CID: 71758052

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.413837
• LogD (pH = 7.4): 1.4138486
• Log P: 1.4138488
• Molar Refractivity: 50.3542 cm^3
• Polarizability: 19.81158 Å^3
• Polar Surface Area: 51.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): -1.142

Product Information

• Purity: 95%