N-ethyl-2-methoxybenzene-1-sulfonamide

• ChemBase ID: 266045
• Molecular Formular: C9H13NO3S
• Molecular Mass: 215.26942
• Monoisotopic Mass: 215.06161428
• SMILES: S(=O)(=O)(c1c(OC)cccc1)NCC
• Canonical SMILES: CCNS(=O)(=O)c1ccccc1OC
• InChI: InChI=1S/C9H13NO3S/c1-3-10-14(11,12)9-7-5-4-6-8(9)13-2/h4-7,10H,3H2,1-2H3
• InChIKey: WLSLKKLIABBOLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-methoxybenzene-1-sulfonamide
• IUPAC Traditional name: N-ethyl-2-methoxybenzenesulfonamide
• Synonyms: N-ethyl-2-methoxybenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD11618320
• PubChem SID: 164321955
• PubChem CID: 43212844

CALCULATED PROPERTIES

• Acid pKa: 9.650203
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0020621
• LogD (pH = 7.4): 0.99993336
• Log P: 1.0020894
• Molar Refractivity: 54.3244 cm^3
• Polarizability: 21.832014 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): 1.248

Product Information

• Purity: 95%