2-chloro-N-[3-(morpholine-4-sulfonyl)phenyl]-2-phenylacetamide

• ChemBase ID: 230756
• Molecular Formular: C18H19ClN2O4S
• Molecular Mass: 394.87246
• Monoisotopic Mass: 394.07540578
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)C(c2ccccc2)Cl)ccc1
• Canonical SMILES: O=C(C(c1ccccc1)Cl)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C18H19ClN2O4S/c19-17(14-5-2-1-3-6-14)18(22)20-15-7-4-8-16(13-15)26(23,24)21-9-11-25-12-10-21/h1-8,13,17H,9-12H2,(H,20,22)
• InChIKey: MOHCKELCHPJLFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[3-(morpholine-4-sulfonyl)phenyl]-2-phenylacetamide
• IUPAC Traditional name: 2-chloro-N-[3-(morpholine-4-sulfonyl)phenyl]-2-phenylacetamide
• Synonyms: 2-Chloro-N-[3-(morpholine-4-sulfonyl)-phenyl]-2-phenyl-acetamide

Database IDs

• MDL Number: MFCD03970374
• PubChem SID: 164286666
• PubChem CID: 3847396

CALCULATED PROPERTIES

• Acid pKa: 12.661671
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5196118
• LogD (pH = 7.4): 2.5196097
• Log P: 2.5196118
• Molar Refractivity: 101.0579 cm^3
• Polarizability: 39.28217 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.113

Product Information

• Purity: 95%