Hydrogen can be produced from several feedstocks and technologies, making it an important partner in the energy transition to neutral carbon societies. Hydrogen production can be based on renewable feedstocks, such as agricultural residues, which are highly available and economical. However, a comprehensive analysis of all available hydrogen production technologies must be done. Therefore, this work focused on developing a comparative analysis of the sustainability of the main hydrogen production technologies. Technologies with the greatest opportunity for development were simulated and evaluated from a sustainability perspective. Techno-energetic, economic, environmental, and social indicators were used to calculate a comprehensive sustainability index (SId). Steam biomethane reforming (SBMR) and electrolysis (EL) were the schemes with the highest SId based on the techno-energetic and environmental dimensions. However, the SId decreased substantially when the economic dimension was considered because SBMR presented high capital and operating costs, and EL had low technical performance. On the other hand, thermochemical and biological technologies require further research to decrease the environmental burden and improve the mass yield of the process. Therefore, each production scheme involves different disadvantages that must be resolved to increase the opportunities for hydrogen development.