N-ethyl-4-methoxy-N-phenylbenzene-1-sulfonamide

• ChemBase ID: 299430
• Molecular Formular: C15H17NO3S
• Molecular Mass: 291.36538
• Monoisotopic Mass: 291.09291441
• SMILES: C(C)N(S(=O)(=O)c1ccc(cc1)OC)c1ccccc1
• Canonical SMILES: CCN(S(=O)(=O)c1ccc(cc1)OC)c1ccccc1
• InChI: InChI=1S/C15H17NO3S/c1-3-16(13-7-5-4-6-8-13)20(17,18)15-11-9-14(19-2)10-12-15/h4-12H,3H2,1-2H3
• InChIKey: DGFOMHVGOYEGRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-methoxy-N-phenylbenzene-1-sulfonamide
• IUPAC Traditional name: N-ethyl-4-methoxy-N-phenylbenzenesulfonamide
• Synonyms: N-Ethyl-4-methoxy-N-phenylbenzenesulfonamide

Database IDs

• CAS Number: 5343-90-8
• MDL Number: MFCD00519219
• PubChem SID: 180684961
• PubChem CID: 668795

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8837237
• LogD (pH = 7.4): 2.8837237
• Log P: 2.8837237
• Molar Refractivity: 78.9987 cm^3
• Polarizability: 31.385118 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

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%