butane-1-sulfonamide

• ChemBase ID: 254906
• Molecular Formular: C4H11NO2S
• Molecular Mass: 137.20064
• Monoisotopic Mass: 137.0510496
• SMILES: S(=O)(=O)(N)CCCC
• Canonical SMILES: CCCCS(=O)(=O)N
• InChI: InChI=1S/C4H11NO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)
• InChIKey: OVIZSQRQYWEGON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butane-1-sulfonamide
• IUPAC Traditional name: butane-1-sulfonamide
• Synonyms: butane-1-sulfonamide

Database IDs

• CAS Number: 3144-04-5
• MDL Number: MFCD00465180
• PubChem SID: 164310816
• PubChem CID: 18460

CALCULATED PROPERTIES

• Acid pKa: 11.692401
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.05916153
• LogD (pH = 7.4): -0.059180908
• Log P: -0.059161283
• Molar Refractivity: 32.0643 cm^3
• Polarizability: 13.4633255 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 43 - 45°C
• Hydrophobicity(logP): 0.093

Product Information

• Purity: 95%