3-iodo-8-methylquinoline-5-sulfonyl chloride

• ChemBase ID: 278703
• Molecular Formular: C10H7ClINO2S
• Molecular Mass: 367.59055
• Monoisotopic Mass: 366.89307515
• SMILES: S(=O)(=O)(c1c2c(ncc(c2)I)c(cc1)C)Cl
• Canonical SMILES: Ic1cnc2c(c1)c(ccc2C)S(=O)(=O)Cl
• InChI: InChI=1S/C10H7ClINO2S/c1-6-2-3-9(16(11,14)15)8-4-7(12)5-13-10(6)8/h2-5H,1H3
• InChIKey: YCFJFBUKLWNPAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodo-8-methylquinoline-5-sulfonyl chloride
• IUPAC Traditional name: 3-iodo-8-methylquinoline-5-sulfonyl chloride
• Synonyms: 3-iodo-8-methylquinoline-5-sulfonyl chloride

Database IDs

• MDL Number: MFCD19982611
• PubChem SID: 164334613
• PubChem CID: 54594964

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5195684
• LogD (pH = 7.4): 3.5195694
• Log P: 3.5195694
• Molar Refractivity: 72.5772 cm^3
• Polarizability: 29.9353 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.763

Product Information

• Purity: 95%