N,2,4,5-tetramethylbenzene-1-sulfonamide

• ChemBase ID: 275843
• Molecular Formular: C10H15NO2S
• Molecular Mass: 213.2966
• Monoisotopic Mass: 213.08234973
• SMILES: S(=O)(=O)(c1cc(c(cc1C)C)C)NC
• Canonical SMILES: CNS(=O)(=O)c1cc(C)c(cc1C)C
• InChI: InChI=1S/C10H15NO2S/c1-7-5-9(3)10(6-8(7)2)14(12,13)11-4/h5-6,11H,1-4H3
• InChIKey: ZTCHZIBWNFHFMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,4,5-tetramethylbenzene-1-sulfonamide
• IUPAC Traditional name: N,2,4,5-tetramethylbenzenesulfonamide
• Synonyms: N,2,4,5-tetramethylbenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD16171805
• PubChem SID: 164331753
• PubChem CID: 35725812

CALCULATED PROPERTIES

• Acid pKa: 10.649077
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.343214
• LogD (pH = 7.4): 2.3430002
• Log P: 2.343217
• Molar Refractivity: 58.2362 cm^3
• Polarizability: 22.73908 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.368

Product Information

• Purity: 95%