4-(2-methoxyethoxy)benzene-1-sulfonyl chloride

• ChemBase ID: 255217
• Molecular Formular: C9H11ClO4S
• Molecular Mass: 250.69924
• Monoisotopic Mass: 250.00665751
• SMILES: S(=O)(=O)(c1ccc(cc1)OCCOC)Cl
• Canonical SMILES: COCCOc1ccc(cc1)S(=O)(=O)Cl
• InChI: InChI=1S/C9H11ClO4S/c1-13-6-7-14-8-2-4-9(5-3-8)15(10,11)12/h2-5H,6-7H2,1H3
• InChIKey: QGHZEYHFQCDRAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyethoxy)benzene-1-sulfonyl chloride
• IUPAC Traditional name: 4-(2-methoxyethoxy)benzenesulfonyl chloride
• Synonyms: 4-(2-methoxyethoxy)benzenesulfonyl chloride

Database IDs

• MDL Number: MFCD09816161
• PubChem SID: 164311127
• PubChem CID: 22507216

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.714902
• LogD (pH = 7.4): 1.714902
• Log P: 1.714902
• Molar Refractivity: 57.7589 cm^3
• Polarizability: 23.351109 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.161

Product Information

• Purity: 95%