2-(4-ethoxyphenoxy)-5-(morpholine-4-sulfonyl)aniline

• ChemBase ID: 232294
• Molecular Formular: C18H22N2O5S
• Molecular Mass: 378.44268
• Monoisotopic Mass: 378.12494281
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc(c(Oc2ccc(cc2)OCC)cc1)N
• Canonical SMILES: CCOc1ccc(cc1)Oc1ccc(cc1N)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C18H22N2O5S/c1-2-24-14-3-5-15(6-4-14)25-18-8-7-16(13-17(18)19)26(21,22)20-9-11-23-12-10-20/h3-8,13H,2,9-12,19H2,1H3
• InChIKey: MKDRWCVWOAWEJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxyphenoxy)-5-(morpholine-4-sulfonyl)aniline
• IUPAC Traditional name: 2-(4-ethoxyphenoxy)-5-(morpholine-4-sulfonyl)aniline
• Synonyms: 2-(4-Ethoxy-phenoxy)-5-(morpholine-4-sulfonyl)-phenylamine

Database IDs

• MDL Number: MFCD04614624
• PubChem SID: 164288204
• PubChem CID: 3833553

CALCULATED PROPERTIES

• Acid pKa: 18.526897
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6786057
• LogD (pH = 7.4): 1.678626
• Log P: 1.6786262
• Molar Refractivity: 99.2368 cm^3
• Polarizability: 38.79331 Å^3
• Polar Surface Area: 91.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.282

Product Information

• Purity: 95%