N,2,4,6-tetramethylbenzene-1-sulfonamide

• ChemBase ID: 250950
• Molecular Formular: C10H15NO2S
• Molecular Mass: 213.2966
• Monoisotopic Mass: 213.08234973
• SMILES: S(=O)(=O)(c1c(cc(cc1C)C)C)NC
• Canonical SMILES: CNS(=O)(=O)c1c(C)cc(cc1C)C
• InChI: InChI=1S/C10H15NO2S/c1-7-5-8(2)10(9(3)6-7)14(12,13)11-4/h5-6,11H,1-4H3
• InChIKey: MIMYTDNFDINXHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,4,6-tetramethylbenzene-1-sulfonamide
• IUPAC Traditional name: N,2,4,6-tetramethylbenzenesulfonamide
• Synonyms: N,2,4,6-tetramethylbenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD01211984
• PubChem SID: 164306860
• PubChem CID: 799296

CALCULATED PROPERTIES

• Acid pKa: 10.832698
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.343215
• LogD (pH = 7.4): 2.3430748
• Log P: 2.343217
• Molar Refractivity: 58.2362 cm^3
• Polarizability: 22.74102 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.418

Product Information

• Purity: 95%