3-amino-N,N,4,5-tetramethylbenzene-1-sulfonamide

• ChemBase ID: 249822
• Molecular Formular: C10H16N2O2S
• Molecular Mass: 228.31124
• Monoisotopic Mass: 228.09324876
• SMILES: S(=O)(=O)(c1cc(c(c(c1)C)C)N)N(C)C
• Canonical SMILES: Cc1cc(cc(c1C)N)S(=O)(=O)N(C)C
• InChI: InChI=1S/C10H16N2O2S/c1-7-5-9(6-10(11)8(7)2)15(13,14)12(3)4/h5-6H,11H2,1-4H3
• InChIKey: ACLGQJHSMVTHFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N,N,4,5-tetramethylbenzene-1-sulfonamide
• IUPAC Traditional name: 3-amino-N,N,4,5-tetramethylbenzenesulfonamide
• Synonyms: 3-amino-N,N,4,5-tetramethylbenzenesulfonamide

Database IDs

• MDL Number: MFCD07324910
• PubChem SID: 164305732
• PubChem CID: 4962713

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2240924
• LogD (pH = 7.4): 1.2245399
• Log P: 1.2245456
• Molar Refractivity: 62.7921 cm^3
• Polarizability: 23.964544 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 180°C
• Hydrophobicity(logP): 1.508

Product Information

• Purity: 95%