[(2-bromophenyl)sulfamoyl]dimethylamine

• ChemBase ID: 286335
• Molecular Formular: C8H11BrN2O2S
• Molecular Mass: 279.15414
• Monoisotopic Mass: 277.9724606
• SMILES: S(=O)(=O)(Nc1c(Br)cccc1)N(C)C
• Canonical SMILES: Brc1ccccc1NS(=O)(=O)N(C)C
• InChI: InChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7(8)9/h3-6,10H,1-2H3
• InChIKey: UCJZXZTXNXADJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-bromophenyl)sulfamoyl]dimethylamine
• IUPAC Traditional name: [(2-bromophenyl)sulfamoyl]dimethylamine
• Synonyms: [(2-bromophenyl)sulfamoyl]dimethylamine

Database IDs

• MDL Number: MFCD02975143
• PubChem SID: 180671866
• PubChem CID: 5020191

CALCULATED PROPERTIES

• Acid pKa: 9.550118
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1063995
• LogD (pH = 7.4): 1.1037223
• Log P: 1.1064353
• Molar Refractivity: 58.9321 cm^3
• Polarizability: 23.744144 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78 - 80°C
• Hydrophobicity(logP): 2.247

Product Information

• Purity: 95%