5-amino-N-ethyl-2-methyl-N-phenylbenzene-1-sulfonamide

• ChemBase ID: 70864
• Molecular Formular: C15H18N2O2S
• Molecular Mass: 290.38062
• Monoisotopic Mass: 290.10889883
• SMILES: c1(c(ccc(c1)N)C)S(=O)(=O)N(c1ccccc1)CC
• Canonical SMILES: CCN(S(=O)(=O)c1cc(N)ccc1C)c1ccccc1
• InChI: InChI=1S/C15H18N2O2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-11-13(16)10-9-12(15)2/h4-11H,3,16H2,1-2H3
• InChIKey: ZAXMFSSGOARPBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-N-ethyl-2-methyl-N-phenylbenzene-1-sulfonamide
• IUPAC Traditional name: 5-amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide
• Synonyms: 4-Aminotoluene-2-(N-ethyl)sulfanilide; 4-Amino-2-[(N-ethyl-N-phenyl)sulphamoyl]toluene; 5-Amino-N-ethyl-2-methyl-N-phenylbenzenesulphonamide; 5-Amino-N-ethyl-2-methyl-N-phenylbenzenesulfonamide

Database IDs

• CAS Number: 51123-09-2
• MDL Number: MFCD00025373
• PubChem SID: 162036572
• PubChem CID: 96649

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7245252
• LogD (pH = 7.4): 2.7258732
• Log P: 2.7258906
• Molar Refractivity: 82.2771 cm^3
• Polarizability: 31.772694 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%