4-methoxy-N-(3-methoxy-2-methylphenyl)benzene-1-sulfonamide

• ChemBase ID: 299673
• Molecular Formular: C15H17NO4S
• Molecular Mass: 307.36478
• Monoisotopic Mass: 307.08782903
• SMILES: COc1ccc(cc1)S(=O)(=O)Nc1c(c(ccc1)OC)C
• Canonical SMILES: COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1C)OC
• InChI: InChI=1S/C15H17NO4S/c1-11-14(5-4-6-15(11)20-3)16-21(17,18)13-9-7-12(19-2)8-10-13/h4-10,16H,1-3H3
• InChIKey: LEIWPMAEDJIALL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(3-methoxy-2-methylphenyl)benzene-1-sulfonamide
• IUPAC Traditional name: 4-methoxy-N-(3-methoxy-2-methylphenyl)benzenesulfonamide
• Synonyms: 4-Methoxy-N-(3-methoxy-2-methylphenyl)benzenesulfonamide

Database IDs

• MDL Number: MFCD22380728
• PubChem SID: 180685204
• PubChem CID: 73996273

CALCULATED PROPERTIES

• Acid pKa: 8.009276
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.657801
• LogD (pH = 7.4): 2.5755236
• Log P: 2.65899
• Molar Refractivity: 80.8578 cm^3
• Polarizability: 32.001232 Å^3
• Polar Surface Area: 64.63 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%