4-(cyclopentyloxy)benzene-1-sulfonyl chloride

• ChemBase ID: 19214
• Molecular Formular: C11H13ClO3S
• Molecular Mass: 260.73712
• Monoisotopic Mass: 260.02739296
• SMILES: S(=O)(=O)(c1ccc(OC2CCCC2)cc1)Cl
• Canonical SMILES: ClS(=O)(=O)c1ccc(cc1)OC1CCCC1
• InChI: InChI=1S/C11H13ClO3S/c12-16(13,14)11-7-5-10(6-8-11)15-9-3-1-2-4-9/h5-9H,1-4H2
• InChIKey: JXLFMLDWSZWHCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentyloxy)benzene-1-sulfonyl chloride
• IUPAC Traditional name: 4-(cyclopentyloxy)benzenesulfonyl chloride
• Synonyms: 4-Cyclopentyloxy-benzenesulfonyl chloride; 4-(cyclopentyloxy)benzenesulfonyl chloride

Database IDs

• MDL Number: MFCD08687521
• PubChem SID: 160982521
• PubChem CID: 16641362

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1165795
• LogD (pH = 7.4): 3.1165795
• Log P: 3.1165795
• Molar Refractivity: 63.1286 cm^3
• Polarizability: 25.551018 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.561

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%