N-[4-(morpholine-4-sulfonyl)phenyl]acetamide

• ChemBase ID: 301492
• Molecular Formular: C12H16N2O4S
• Molecular Mass: 284.33144
• Monoisotopic Mass: 284.083078
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C12H16N2O4S/c1-10(15)13-11-2-4-12(5-3-11)19(16,17)14-6-8-18-9-7-14/h2-5H,6-9H2,1H3,(H,13,15)
• InChIKey: WSVGZFWJCRPWAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(morpholine-4-sulfonyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(morpholine-4-sulfonyl)phenyl]acetamide
• Synonyms: 4'-(Morpholinylsulfonyl)acetanilide

Database IDs

• CAS Number: 21626-69-7
• EC Number: 244-483-8
• MDL Number: MFCD00585314

CALCULATED PROPERTIES

• Acid pKa: 13.477861
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.045838628
• LogD (pH = 7.4): 0.04583829
• Log P: 0.04583863
• Molar Refractivity: 71.9468 cm^3
• Polarizability: 27.887075 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114°C dec.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%