2-chloro-N-[2-ethoxy-5-(morpholine-4-sulfonyl)phenyl]acetamide

• ChemBase ID: 251608
• Molecular Formular: C14H19ClN2O5S
• Molecular Mass: 362.82906
• Monoisotopic Mass: 362.0703204
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)CCl)c(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1NC(=O)CCl)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C14H19ClN2O5S/c1-2-22-13-4-3-11(9-12(13)16-14(18)10-15)23(19,20)17-5-7-21-8-6-17/h3-4,9H,2,5-8,10H2,1H3,(H,16,18)
• InChIKey: JNYQQISNJYXKAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[2-ethoxy-5-(morpholine-4-sulfonyl)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[2-ethoxy-5-(morpholine-4-sulfonyl)phenyl]acetamide
• Synonyms: 2-chloro-N-[2-ethoxy-5-(morpholin-4-ylsulfonyl)phenyl]acetamide

Database IDs

• MDL Number: MFCD08271733
• PubChem SID: 164307518
• PubChem CID: 9317144

CALCULATED PROPERTIES

• Acid pKa: 11.70896
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.7823189
• LogD (pH = 7.4): 0.78229886
• Log P: 0.7823191
• Molar Refractivity: 87.9118 cm^3
• Polarizability: 34.160656 Å^3
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.363

Product Information

• Purity: 95%