Jazan province on Saudi Arabia’s southwesterly Red Sea coast is facing significant challenges in water management related to its arid climate, restricted water resources, and increasing population. A total of 180 groundwater samples were collected and tested for important hydro-chemical parameters used to determine its adaptability for irrigation. The principal components analysis (PCA) was applied to evaluate the consistency/cluster overlapping, agglomeration in the datasets, and to identify the sources of variation between the 11 major ion concentrations (pH, K+, Na+, Mg2+, Ca2+, SO42−, Cl−, HCO3−, NO3−, TDS, and TH). The EC values ranged from excellent to unsuitable, with 10% being excellent to good, 43% permissible, and 47% improper for irrigation. The SAR classification determined that 91.67% of groundwater samples were good to excellent for irrigation, indicating that they are suitable for irrigation with no sodium-related adverse effects. Magnesium hazard values showed that 1.67% of the samples are unsuitable for irrigation, while the remaining 98.33% are suitable. Chloro-alkaline indices signify that most groundwater samples show positive ratios indicating that ion exchange is dominant in the aquifer. The Gibb’s diagram reflects that evaporation, seawater interaction, and water–rock interaction are the foremost processes impacting groundwater quality, besides other regional environmental variables. A strong positive correlation was declared between TDS and Na+, Mg2+, Ca2+, Cl−, SO42− in addition to TH with Mg2+, Ca2+, Cl−, SO42−, TDS, and also Cl− with Na+, Ca2+, Mg2+ were major connections, with correlation coefficients over 0.8 and p < 0.0001. The extracted factor analysis observed that TH, Ca2+, TDS, Cl−, and Mg2+ have high positive factor loading in Factor 1, with around 52% of the total variance. This confirms the roles of evaporation and ion exchange as the major processes that mostly affect groundwater quality, along with very little human impact. The spatial distribution maps of the various water quality indices showed that the majority of unsuitable groundwater samples were falling along the coast where there is overcrowding and a variety of anthropogenic activities and the possible impact of seawater intrusion. The results of the hierarchical cluster analysis agreed with the correlations mentioned in the factor analysis and correlation matrix. As a result, incorporating physicochemical variables into the PCA to assess groundwater quality is a practical and adaptable approach with exceptional abilities and new perspectives. According to the study’s findings, incorporating different techniques to assess groundwater quality is beneficial in understanding the factors that control groundwater quality and can assist officials in effectively controlling groundwater quality and also enhancing the water resources in the study area.