Cellulose nanoparticles are sustainable natural polymers with excellent application in environmental remediation technology. In this work, we synthesized cellulose nanoparticles and covalently functionalized them with a multi-functional group possessing ligands. The hybrid material shows excellent adsorption properties for the simultaneous extraction of multiple metal ions in the sample preparation technique. The sorbent shows excellent sorption capacity in the range of 1.8–2.2 mmol/g of material. The developed method was successfully employed for the simultaneous extraction of Pb(II), Cd(II) and Cu(II) from real-world samples (industrial effluent, river water, tap and groundwater) and subsequently determined by inductively coupled plasma optical emission spectroscopy (ICP-OES). The method shows a preconcentration limit of 0.7 ppb attributes to analyze the trace concentration of studied metal ions. The detection limit obtained for Pb(II), Cd(II) and Cu(II) is found to be 0.4 ppb.