3-fluoropropane-1-sulfonamide

• ChemBase ID: 278773
• Molecular Formular: C3H8FNO2S
• Molecular Mass: 141.1645232
• Monoisotopic Mass: 141.02597772
• SMILES: S(=O)(=O)(N)CCCF
• Canonical SMILES: FCCCS(=O)(=O)N
• InChI: InChI=1S/C3H8FNO2S/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)
• InChIKey: TUWLBHMNJWOAQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoropropane-1-sulfonamide
• IUPAC Traditional name: 3-fluoropropane-1-sulfonamide
• Synonyms: 3-fluoropropane-1-sulfonamide

Database IDs

• MDL Number: MFCD11847579
• PubChem SID: 164334683
• PubChem CID: 53404000

CALCULATED PROPERTIES

• Acid pKa: 11.424346
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1221112
• LogD (pH = 7.4): -1.1221472
• Log P: -1.1221108
• Molar Refractivity: 27.6563 cm^3
• Polarizability: 11.509841 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45 - 47°C
• Hydrophobicity(logP): -1.013

Product Information

• Purity: 95%