[4-(benzenesulfonyl)-2-fluorophenyl]hydrazine

• ChemBase ID: 22538
• Molecular Formular: C12H11FN2O2S
• Molecular Mass: 266.2913432
• Monoisotopic Mass: 266.05252682
• SMILES: N(N)c1ccc(cc1F)S(=O)(=O)c1ccccc1
• Canonical SMILES: NNc1ccc(cc1F)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C12H11FN2O2S/c13-11-8-10(6-7-12(11)15-14)18(16,17)9-4-2-1-3-5-9/h1-8,15H,14H2
• InChIKey: FLIPMBYDWSILOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(benzenesulfonyl)-2-fluorophenyl]hydrazine
• IUPAC Traditional name: [4-(benzenesulfonyl)-2-fluorophenyl]hydrazine
• Synonyms: 2-Fluoro-4-(phenylsulfonyl)phenylhydrazine; 2-Fluoro-4-(phenylsulphonyl)phenylhydrazine

Database IDs

• MDL Number: MFCD09800751
• PubChem SID: 160985845
• PubChem CID: 26598106

CALCULATED PROPERTIES

• Acid pKa: 14.414898
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4358287
• LogD (pH = 7.4): 2.461725
• Log P: 2.462425
• Molar Refractivity: 69.5133 cm^3
• Polarizability: 26.627695 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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