2-(naphthalen-2-yloxy)ethane-1-sulfonyl chloride

• ChemBase ID: 240902
• Molecular Formular: C12H11ClO3S
• Molecular Mass: 270.73194
• Monoisotopic Mass: 270.01174289
• SMILES: S(=O)(=O)(CCOc1cc2c(cc1)cccc2)Cl
• Canonical SMILES: ClS(=O)(=O)CCOc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H11ClO3S/c13-17(14,15)8-7-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
• InChIKey: HCAFYYGEJAPIQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yloxy)ethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-(naphthalen-2-yloxy)ethanesulfonyl chloride
• Synonyms: 2-(naphthalen-2-yloxy)ethane-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD10022959
• PubChem SID: 164296812
• PubChem CID: 64199290

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5907383
• LogD (pH = 7.4): 2.5907383
• Log P: 2.5907383
• Molar Refractivity: 67.2294 cm^3
• Polarizability: 28.241354 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.941

Product Information

• Purity: 95%