5-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-sulfonyl chloride

• ChemBase ID: 245007
• Molecular Formular: C8H11ClN2O2S
• Molecular Mass: 234.70314
• Monoisotopic Mass: 234.02297628
• SMILES: c1(S(=O)(=O)Cl)n2c(nc1)CCCC2C
• Canonical SMILES: CC1CCCc2n1c(cn2)S(=O)(=O)Cl
• InChI: InChI=1S/C8H11ClN2O2S/c1-6-3-2-4-7-10-5-8(11(6)7)14(9,12)13/h5-6H,2-4H2,1H3
• InChIKey: HIQPRDRUSZNRHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-sulfonyl chloride
• IUPAC Traditional name: 5-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-sulfonyl chloride
• Synonyms: 5-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-sulfonyl chloride

Database IDs

• MDL Number: MFCD23144018
• PubChem SID: 164300917
• PubChem CID: 71757637

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3144437
• LogD (pH = 7.4): 1.3251191
• Log P: 1.3252573
• Molar Refractivity: 53.7128 cm^3
• Polarizability: 21.624454 Å^3
• Polar Surface Area: 51.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.623

Product Information

• Purity: 95%