2,6-dichloro-N-methyl-3-(methylsulfamoyl)benzamide

• ChemBase ID: 275236
• Molecular Formular: C9H10Cl2N2O3S
• Molecular Mass: 297.1583
• Monoisotopic Mass: 295.97891855
• SMILES: S(=O)(=O)(c1c(c(C(=O)NC)c(cc1)Cl)Cl)NC
• Canonical SMILES: CNC(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)NC
• InChI: InChI=1S/C9H10Cl2N2O3S/c1-12-9(14)7-5(10)3-4-6(8(7)11)17(15,16)13-2/h3-4,13H,1-2H3,(H,12,14)
• InChIKey: DDUUYBRMCLHMDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-N-methyl-3-(methylsulfamoyl)benzamide
• IUPAC Traditional name: 2,6-dichloro-N-methyl-3-(methylsulfamoyl)benzamide
• Synonyms: 2,6-dichloro-N-methyl-3-(methylsulfamoyl)benzamide

Database IDs

• MDL Number: MFCD18917299
• PubChem SID: 164331146
• PubChem CID: 54593594

CALCULATED PROPERTIES

• Acid pKa: 8.388039
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0848608
• LogD (pH = 7.4): 1.0479248
• Log P: 1.0853584
• Molar Refractivity: 66.6973 cm^3
• Polarizability: 26.15409 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231 - 233°C
• Hydrophobicity(logP): -0.125

Product Information

• Purity: 95%