4-hydroxy-N,N-dimethylbenzene-1-sulfonamide

• ChemBase ID: 269572
• Molecular Formular: C8H11NO3S
• Molecular Mass: 201.24284
• Monoisotopic Mass: 201.04596422
• SMILES: S(=O)(=O)(c1ccc(cc1)O)N(C)C
• Canonical SMILES: CN(S(=O)(=O)c1ccc(cc1)O)C
• InChI: InChI=1S/C8H11NO3S/c1-9(2)13(11,12)8-5-3-7(10)4-6-8/h3-6,10H,1-2H3
• InChIKey: JYBMFOQKJJJCPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-N,N-dimethylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-dimethylsulfamoylphenol
• Synonyms: 4-hydroxy-N,N-dimethylbenzene-1-sulfonamide

Database IDs

• MDL Number: MFCD00155418
• PubChem SID: 164325482
• PubChem CID: 84760

CALCULATED PROPERTIES

• Acid pKa: 8.295462
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7223733
• LogD (pH = 7.4): 0.6714456
• Log P: 0.7230634
• Molar Refractivity: 49.9902 cm^3
• Polarizability: 19.928879 Å^3
• Polar Surface Area: 57.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 97°C
• Hydrophobicity(logP): 1.2

Product Information

• Purity: 95%