N-(2-aminophenyl)-N-methylmethanesulfonamide

• ChemBase ID: 237630
• Molecular Formular: C8H12N2O2S
• Molecular Mass: 200.25808
• Monoisotopic Mass: 200.06194863
• SMILES: S(=O)(=O)(N(c1c(N)cccc1)C)C
• Canonical SMILES: Nc1ccccc1N(S(=O)(=O)C)C
• InChI: InChI=1S/C8H12N2O2S/c1-10(13(2,11)12)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
• InChIKey: YPMKIXADVWKELK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)-N-methylmethanesulfonamide
• IUPAC Traditional name: N-(2-aminophenyl)-N-methylmethanesulfonamide
• Synonyms: N-(2-aminophenyl)-N-methylmethanesulfonamide

Database IDs

• MDL Number: MFCD16158909
• PubChem SID: 164293540
• PubChem CID: 13314626

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.2640822
• LogD (pH = 7.4): -0.25893098
• Log P: -0.25886488
• Molar Refractivity: 52.3383 cm^3
• Polarizability: 20.475906 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138 - 140°C
• Hydrophobicity(logP): 0.39

Product Information

• Purity: 95%