2-(4-methoxyphenoxy)ethane-1-sulfonyl chloride

• ChemBase ID: 277170
• Molecular Formular: C9H11ClO4S
• Molecular Mass: 250.69924
• Monoisotopic Mass: 250.00665751
• SMILES: S(=O)(=O)(CCOc1ccc(cc1)OC)Cl
• Canonical SMILES: COc1ccc(cc1)OCCS(=O)(=O)Cl
• InChI: InChI=1S/C9H11ClO4S/c1-13-8-2-4-9(5-3-8)14-6-7-15(10,11)12/h2-5H,6-7H2,1H3
• InChIKey: HESVPAQVZZIIBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxy)ethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-(4-methoxyphenoxy)ethanesulfonyl chloride
• Synonyms: 2-(4-methoxyphenoxy)ethane-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD10022943
• PubChem SID: 164333080
• PubChem CID: 54594527

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4435903
• LogD (pH = 7.4): 1.4435903
• Log P: 1.4435903
• Molar Refractivity: 57.2424 cm^3
• Polarizability: 23.377014 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.856

Product Information

• Purity: 95%