4,7-dichloroquinoline-8-sulfonyl chloride

• ChemBase ID: 275092
• Molecular Formular: C9H4Cl3NO2S
• Molecular Mass: 296.55756
• Monoisotopic Mass: 294.90283241
• SMILES: S(=O)(=O)(c1c2c(ccc1Cl)c(ccn2)Cl)Cl
• Canonical SMILES: Clc1ccnc2c1ccc(c2S(=O)(=O)Cl)Cl
• InChI: InChI=1S/C9H4Cl3NO2S/c10-6-3-4-13-8-5(6)1-2-7(11)9(8)16(12,14)15/h1-4H
• InChIKey: POGIMPXCNBVRSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dichloroquinoline-8-sulfonyl chloride
• IUPAC Traditional name: 4,7-dichloroquinoline-8-sulfonyl chloride
• Synonyms: 4,7-dichloroquinoline-8-sulfonyl chloride

Database IDs

• MDL Number: MFCD19381868
• PubChem SID: 164331002
• PubChem CID: 54593516

CALCULATED PROPERTIES

• Molar Refractivity: 63.7831 cm^3
• Polarizability: 26.856264 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2852929
• LogD (pH = 7.4): 3.2852929
• Log P: 3.2852929

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 1.589

Product Information

• Purity: 95%