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

• ChemBase ID: 251581
• Molecular Formular: C15H21ClN2O5S
• Molecular Mass: 376.85564
• Monoisotopic Mass: 376.08597046
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)CCl)c(OC(C)C)cc1
• Canonical SMILES: ClCC(=O)Nc1cc(ccc1OC(C)C)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C15H21ClN2O5S/c1-11(2)23-14-4-3-12(9-13(14)17-15(19)10-16)24(20,21)18-5-7-22-8-6-18/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,19)
• InChIKey: HSNBGUCOZMOIJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08271732
• PubChem SID: 164307491
• PubChem CID: 9317138

CALCULATED PROPERTIES

• Acid pKa: 11.704283
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1988939
• LogD (pH = 7.4): 1.1988736
• Log P: 1.1988941
• Molar Refractivity: 92.3306 cm^3
• Polarizability: 35.983067 Å^3
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.672

Product Information

• Purity: 95%