4-amino-N-ethyl-N-phenylbenzene-1-sulfonamide

• ChemBase ID: 21515
• Molecular Formular: C14H16N2O2S
• Molecular Mass: 276.35404
• Monoisotopic Mass: 276.09324876
• SMILES: S(=O)(=O)(N(c1ccccc1)CC)c1ccc(N)cc1
• Canonical SMILES: CCN(S(=O)(=O)c1ccc(cc1)N)c1ccccc1
• InChI: InChI=1S/C14H16N2O2S/c1-2-16(13-6-4-3-5-7-13)19(17,18)14-10-8-12(15)9-11-14/h3-11H,2,15H2,1H3
• InChIKey: QMUIFGZYOIQAGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-ethyl-N-phenylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-amino-N-ethyl-N-phenylbenzenesulfonamide
• Synonyms: 4-Amino-N-ethyl-N-phenylbenzenesulfonamide

Database IDs

• CAS Number: 50497-33-1
• MDL Number: MFCD03615635
• PubChem SID: 160984822
• PubChem CID: 833589

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2121942
• LogD (pH = 7.4): 2.2124658
• Log P: 2.212469
• Molar Refractivity: 77.2359 cm^3
• Polarizability: 30.006823 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.598

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%