4-(4-methoxyphenoxy)benzene-1-sulfonyl chloride

• ChemBase ID: 75399
• Molecular Formular: C13H11ClO4S
• Molecular Mass: 298.74204
• Monoisotopic Mass: 298.00665751
• SMILES: S(=O)(=O)(c1ccc(cc1)Oc1ccc(cc1)OC)Cl
• Canonical SMILES: COc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)Cl
• InChI: InChI=1S/C13H11ClO4S/c1-17-10-2-4-11(5-3-10)18-12-6-8-13(9-7-12)19(14,15)16/h2-9H,1H3
• InChIKey: HDIKIJUPJYLXDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenoxy)benzene-1-sulfonyl chloride
• IUPAC Traditional name: 4-(4-methoxyphenoxy)benzenesulfonyl chloride
• Synonyms: 4-(4-Methoxyphenoxy)benzenesulphonyl chloride; 4-(4-methoxyphenoxy)benzene-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD01631864
• PubChem SID: 162040317
• PubChem CID: 3678310

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2621648
• LogD (pH = 7.4): 3.2621648
• Log P: 3.2621648
• Molar Refractivity: 72.9562 cm^3
• Polarizability: 29.234003 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.187

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%