2-hydroxypropane-1-sulfonamide

• ChemBase ID: 245746
• Molecular Formular: C3H9NO3S
• Molecular Mass: 139.17346
• Monoisotopic Mass: 139.03031415
• SMILES: S(=O)(=O)(CC(O)C)N
• Canonical SMILES: CC(CS(=O)(=O)N)O
• InChI: InChI=1S/C3H9NO3S/c1-3(5)2-8(4,6)7/h3,5H,2H2,1H3,(H2,4,6,7)
• InChIKey: KPXNQHAHVGBVBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxypropane-1-sulfonamide
• IUPAC Traditional name: 2-hydroxypropane-1-sulfonamide
• Synonyms: 2-hydroxypropane-1-sulfonamide

Database IDs

• MDL Number: MFCD23144139
• PubChem SID: 164301656
• PubChem CID: 13301334

CALCULATED PROPERTIES

• Acid pKa: 11.001217
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6565886
• LogD (pH = 7.4): -1.6566837
• Log P: -1.6565872
• Molar Refractivity: 28.9018 cm^3
• Polarizability: 12.341194 Å^3
• Polar Surface Area: 80.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.6

Product Information

• Purity: 95%