N-cyclopentyloxane-4-sulfonamide

• ChemBase ID: 244344
• Molecular Formular: C10H19NO3S
• Molecular Mass: 233.32776
• Monoisotopic Mass: 233.10856447
• SMILES: S(=O)(=O)(NC1CCCC1)C1CCOCC1
• Canonical SMILES: O=S(=O)(C1CCOCC1)NC1CCCC1
• InChI: InChI=1S/C10H19NO3S/c12-15(13,10-5-7-14-8-6-10)11-9-3-1-2-4-9/h9-11H,1-8H2
• InChIKey: SVSOJZPVHKCFPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyloxane-4-sulfonamide
• IUPAC Traditional name: N-cyclopentyloxane-4-sulfonamide
• Synonyms: N-cyclopentyloxane-4-sulfonamide

Database IDs

• MDL Number: MFCD20148762
• PubChem SID: 164300254
• PubChem CID: 56824320

CALCULATED PROPERTIES

• Acid pKa: 11.196127
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3086922
• LogD (pH = 7.4): 0.30863142
• Log P: 0.30869296
• Molar Refractivity: 58.0999 cm^3
• Polarizability: 23.743273 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.236

Product Information

• Purity: 95%