cyclopentanesulfonamide

• ChemBase ID: 273391
• Molecular Formular: C5H11NO2S
• Molecular Mass: 149.21134
• Monoisotopic Mass: 149.0510496
• SMILES: S(=O)(=O)(C1CCCC1)N
• Canonical SMILES: NS(=O)(=O)C1CCCC1
• InChI: InChI=1S/C5H11NO2S/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2,(H2,6,7,8)
• InChIKey: OPASRWWZEIMSOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentanesulfonamide
• IUPAC Traditional name: cyclopentanesulfonamide
• Synonyms: cyclopentanesulfonamide

Database IDs

• MDL Number: MFCD03550609
• PubChem SID: 164329301
• PubChem CID: 4645983

CALCULATED PROPERTIES

• Acid pKa: 11.597649
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.12383048
• LogD (pH = 7.4): 0.12380638
• Log P: 0.12383079
• Molar Refractivity: 34.7277 cm^3
• Polarizability: 14.579489 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): -0.022

Product Information

• Purity: 95%