pent-4-ene-1-sulfonamide

• ChemBase ID: 276235
• Molecular Formular: C5H11NO2S
• Molecular Mass: 149.21134
• Monoisotopic Mass: 149.0510496
• SMILES: S(=O)(=O)(N)CCCC=C
• Canonical SMILES: C=CCCCS(=O)(=O)N
• InChI: InChI=1S/C5H11NO2S/c1-2-3-4-5-9(6,7)8/h2H,1,3-5H2,(H2,6,7,8)
• InChIKey: GUYDOCPILYZNEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pent-4-ene-1-sulfonamide
• IUPAC Traditional name: pent-4-ene-1-sulfonamide
• Synonyms: pent-4-ene-1-sulfonamide

Database IDs

• MDL Number: MFCD19382091
• PubChem SID: 164332145
• PubChem CID: 11788380

CALCULATED PROPERTIES

• Acid pKa: 11.713741
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.08141916
• LogD (pH = 7.4): 0.081400715
• Log P: 0.08141939
• Molar Refractivity: 36.7094 cm^3
• Polarizability: 15.040717 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.138

Product Information

• Purity: 95%