N-benzyl-N-methylaminosulfonamide

• ChemBase ID: 261319
• Molecular Formular: C8H12N2O2S
• Molecular Mass: 200.25808
• Monoisotopic Mass: 200.06194863
• SMILES: S(=O)(=O)(N(Cc1ccccc1)C)N
• Canonical SMILES: CN(S(=O)(=O)N)Cc1ccccc1
• InChI: InChI=1S/C8H12N2O2S/c1-10(13(9,11)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,9,11,12)
• InChIKey: DLRUAUAERCIPNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methylaminosulfonamide
• IUPAC Traditional name: N-benzyl-N-methylaminosulfonamide
• Synonyms: amino-N-benzyl-N-methylsulfonamide

Database IDs

• MDL Number: MFCD11205190
• PubChem SID: 164317229
• PubChem CID: 19889027

CALCULATED PROPERTIES

• Acid pKa: 11.528685
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.18052097
• LogD (pH = 7.4): 0.18049273
• Log P: 0.18052132
• Molar Refractivity: 51.2476 cm^3
• Polarizability: 20.854132 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92 - 94°C
• Hydrophobicity(logP): 0.961

Product Information

• Purity: 95%