4-(pentyloxy)benzene-1-sulfonyl chloride

• ChemBase ID: 263755
• Molecular Formular: C11H15ClO3S
• Molecular Mass: 262.753
• Monoisotopic Mass: 262.04304302
• SMILES: S(=O)(=O)(c1ccc(cc1)OCCCCC)Cl
• Canonical SMILES: CCCCCOc1ccc(cc1)S(=O)(=O)Cl
• InChI: InChI=1S/C11H15ClO3S/c1-2-3-4-9-15-10-5-7-11(8-6-10)16(12,13)14/h5-8H,2-4,9H2,1H3
• InChIKey: WPNBAZJJEQNSOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01961265
• PubChem SID: 164319665
• PubChem CID: 3794965

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5303452
• LogD (pH = 7.4): 3.5303452
• Log P: 3.5303452
• Molar Refractivity: 65.19 cm^3
• Polarizability: 26.26534 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.205

Product Information

• Purity: 95%