N-{4-[(2-chloro-4-iodophenyl)sulfamoyl]phenyl}acetamide

• ChemBase ID: 301598
• Molecular Formular: C14H12ClIN2O3S
• Molecular Mass: 450.67915
• Monoisotopic Mass: 449.93018893
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1Cl)I
• Canonical SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1Cl)I
• InChI: InChI=1S/C14H12ClIN2O3S/c1-9(19)17-11-3-5-12(6-4-11)22(20,21)18-14-7-2-10(16)8-13(14)15/h2-8,18H,1H3,(H,17,19)
• InChIKey: DMWORWAYTPDDEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(2-chloro-4-iodophenyl)sulfamoyl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[(2-chloro-4-iodophenyl)sulfamoyl]phenyl}acetamide
• Synonyms: 4'-(2-Chloro-4-iodophenylsulfamoyl)acetanilide

Database IDs

• MDL Number: MFCD22989366

CALCULATED PROPERTIES

• Acid pKa: 8.948565
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.2314737
• LogD (pH = 7.4): 3.2208986
• Log P: 3.2316105
• Molar Refractivity: 95.9205 cm^3
• Polarizability: 37.238197 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Light Sensitive
• 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%