4-(4-ethoxyphenoxy)benzene-1-sulfonamide

• ChemBase ID: 283103
• Molecular Formular: C14H15NO4S
• Molecular Mass: 293.3382
• Monoisotopic Mass: 293.07217897
• SMILES: S(=O)(=O)(c1ccc(Oc2ccc(cc2)OCC)cc1)N
• Canonical SMILES: CCOc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C14H15NO4S/c1-2-18-11-3-5-12(6-4-11)19-13-7-9-14(10-8-13)20(15,16)17/h3-10H,2H2,1H3,(H2,15,16,17)
• InChIKey: IXSZMQSJWIOGDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethoxyphenoxy)benzene-1-sulfonamide
• IUPAC Traditional name: 4-(4-ethoxyphenoxy)benzenesulfonamide
• Synonyms: 4-(4-ethoxyphenoxy)benzene-1-sulfonamide

Database IDs

• MDL Number: MFCD13630056
• PubChem SID: 180668634
• PubChem CID: 43235226

CALCULATED PROPERTIES

• Acid pKa: 10.399189
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2786956
• LogD (pH = 7.4): 2.278315
• Log P: 2.2787004
• Molar Refractivity: 75.6685 cm^3
• Polarizability: 30.299475 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.851

Product Information

• Purity: 95%