The study has as purpose to identify, analyze, and validate challenge constructs of Industry 4.0, which can affect the promotion of sustainability within the industry. A systematic literature review was conducted to identify challenges to the promotion of Industry 4.0 sustainability. A set of seventy challenges were grouped into the following eight constructs: finances, technology, organizational, human resources, legislation, geopolitical and economic factors, and both internal and external factors. Subsequently, the same constructs were validated using a survey involving industry professionals. The data were analyzed using the Lawshe method. Five constructs within the eight constructs were considered relevant to industry sustainability according to the experts’ opinion. The validated set of constructs included: finance, technology, organizational, human resources, and internal factors. This study contributes to the literature in the field by addressing a research gap of constructs identification based on expert’s opinions that impact Industry 4.0 in promotion of sustainable development. This study delivers theoretical and practical implications. From a theoretical standpoint, it contributes to expanding knowledge by providing valuable insights into the adoption of Industry 4.0 and its specific challenges concerning the pursuit of more sustainable practices. These implications extend to diverse research areas given the multidisciplinary nature of Industry 4.0.