3,5-dimethoxybenzene-1-sulfonamide

• ChemBase ID: 240806
• Molecular Formular: C8H11NO4S
• Molecular Mass: 217.24224
• Monoisotopic Mass: 217.04087884
• SMILES: S(=O)(=O)(c1cc(cc(c1)OC)OC)N
• Canonical SMILES: COc1cc(OC)cc(c1)S(=O)(=O)N
• InChI: InChI=1S/C8H11NO4S/c1-12-6-3-7(13-2)5-8(4-6)14(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
• InChIKey: SZICDJOKKYGTTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethoxybenzene-1-sulfonamide
• IUPAC Traditional name: 3,5-dimethoxybenzenesulfonamide
• Synonyms: 3,5-dimethoxybenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD18395733
• PubChem SID: 164296716
• PubChem CID: 54060776

CALCULATED PROPERTIES

• Acid pKa: 9.851781
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.26391694
• LogD (pH = 7.4): 0.26257712
• Log P: 0.26393405
• Molar Refractivity: 51.1423 cm^3
• Polarizability: 20.722406 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.59

Product Information

• Purity: 95%