(4-fluorophenyl)methanesulfonohydrazide

• ChemBase ID: 264314
• Molecular Formular: C7H9FN2O2S
• Molecular Mass: 204.2219632
• Monoisotopic Mass: 204.03687676
• SMILES: S(=O)(=O)(NN)Cc1ccc(F)cc1
• Canonical SMILES: NNS(=O)(=O)Cc1ccc(cc1)F
• InChI: InChI=1S/C7H9FN2O2S/c8-7-3-1-6(2-4-7)5-13(11,12)10-9/h1-4,10H,5,9H2
• InChIKey: HAMOIBICQYRDQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)methanesulfonohydrazide
• IUPAC Traditional name: (4-fluorophenyl)methanesulfonohydrazide
• Synonyms: (4-fluorophenyl)methanesulfonohydrazide

Database IDs

• MDL Number: MFCD12181287
• PubChem SID: 164320224
• PubChem CID: 43476898

CALCULATED PROPERTIES

• Acid pKa: 11.731027
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.18753041
• LogD (pH = 7.4): 0.18778133
• Log P: 0.18763906
• Molar Refractivity: 47.5038 cm^3
• Polarizability: 18.676771 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): -0.123

Product Information

• Purity: 95%