N-ethyl-2,5-difluoro-N-methylbenzene-1-sulfonamide

• ChemBase ID: 249025
• Molecular Formular: C9H11F2NO2S
• Molecular Mass: 235.2509464
• Monoisotopic Mass: 235.04785604
• SMILES: S(=O)(=O)(c1cc(ccc1F)F)N(CC)C
• Canonical SMILES: CCN(S(=O)(=O)c1cc(F)ccc1F)C
• InChI: InChI=1S/C9H11F2NO2S/c1-3-12(2)15(13,14)9-6-7(10)4-5-8(9)11/h4-6H,3H2,1-2H3
• InChIKey: CIYQMOAHQVDOIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2,5-difluoro-N-methylbenzene-1-sulfonamide
• IUPAC Traditional name: N-ethyl-2,5-difluoro-N-methylbenzenesulfonamide
• Synonyms: N-ethyl-2,5-difluoro-N-methylbenzene-1-sulfonamide

Database IDs

• PubChem SID: 164304935
• PubChem CID: 71758639

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6688405
• LogD (pH = 7.4): 1.6688405
• Log P: 1.6688405
• Molar Refractivity: 53.1907 cm^3
• Polarizability: 20.648035 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.152

Product Information

• Purity: 95%