4-fluoro-N,N-dimethylbenzene-1-sulfonamide

• ChemBase ID: 797412
• Molecular Formular: C8H10FNO2S
• Molecular Mass: 203.2339032
• Monoisotopic Mass: 203.04162779
• SMILES: c1(ccc(cc1)F)S(=O)(=O)N(C)C
• Canonical SMILES: CN(S(=O)(=O)c1ccc(cc1)F)C
• InChI: InChI=1S/C8H10FNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3
• InChIKey: WURMPFYVFDHATI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N,N-dimethylbenzene-1-sulfonamide
• IUPAC Traditional name: 4-fluoro-N,N-dimethylbenzenesulfonamide
• Synonyms: 4-Fluoro-N,N-diMethylbenzenesulfonaMide

Database IDs

• CAS Number: 383-31-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1693306
• LogD (pH = 7.4): 1.1693306
• Log P: 1.1693306
• Molar Refractivity: 48.2257 cm^3
• Polarizability: 19.028442 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%