ethanesulfonamide

• ChemBase ID: 69812
• Molecular Formular: C2H7NO2S
• Molecular Mass: 109.14748
• Monoisotopic Mass: 109.01974947
• SMILES: C(C)S(=O)(=O)N
• Canonical SMILES: CCS(=O)(=O)N
• InChI: InChI=1S/C2H7NO2S/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)
• InChIKey: ZCRZCMUDOWDGOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethanesulfonamide
• IUPAC Traditional name: ethanesulfonamide
• Synonyms: Ethanesulfonamide; Sulphamoylethane; Ethanesulphonamide

Database IDs

• CAS Number: 1520-70-3
• MDL Number: MFCD03265410
• PubChem SID: 162035537
• PubChem CID: 73702

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -1.0262524
• LogD (pH = 7.4): -1.0262538
• Log P: -1.0262524
• Molar Refractivity: 22.9393 cm^3
• Polarizability: 9.828679 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 12.804336
• H Acceptors: 2

PROPERTIES

Physical Property

• Melting Point: 55 - 57°C; 57-60°C
• Hydrophobicity(logP): -0.965

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%