2-fluoro-5-(morpholine-4-sulfonyl)aniline

• ChemBase ID: 278609
• Molecular Formular: C10H13FN2O3S
• Molecular Mass: 260.2852232
• Monoisotopic Mass: 260.06309151
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc(c(cc1)F)N
• Canonical SMILES: Fc1ccc(cc1N)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C10H13FN2O3S/c11-9-2-1-8(7-10(9)12)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2
• InChIKey: MQKDYYIHKHSVSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-(morpholine-4-sulfonyl)aniline
• IUPAC Traditional name: 2-fluoro-5-(morpholine-4-sulfonyl)aniline
• Synonyms: 2-fluoro-5-(morpholine-4-sulfonyl)aniline

Database IDs

• MDL Number: MFCD09900651
• PubChem SID: 164334519
• PubChem CID: 24270755

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 17.16037
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.121898584
• LogD (pH = 7.4): 0.12190418
• Log P: 0.12190425
• Molar Refractivity: 62.0006 cm^3
• Polarizability: 23.888062 Å^3
• Polar Surface Area: 72.63 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.717

Product Information

• Purity: 95%