The new evolution of the production and industrial process called Industry 4.0, and its related technologies such as the Internet of Things, big data analytics, and cyber–physical systems, among others, still have an unknown potential impact on sustainability and the environment. In this paper, we conduct a literature-based analysis to discuss the sustainability impact and challenges of Industry 4.0 from four different scenarios: deployment, operation and technologies, integration and compliance with the sustainable development goals, and long-run scenarios. From these scenarios, our analysis resulted in positive or negative impacts related to the basic production inputs and outputs flows: raw material, energy and information consumption and product and waste disposal. As the main results, we identified both positive and negative expected impacts, with some predominance of positives that can be considered positive secondary effects derived from Industry 4.0 activities. However, only through integrating Industry 4.0 with the sustainable development goals in an eco-innovation platform, can it really ensure environmental performance. It is expected that this work can contribute to helping stakeholders, practitioners and governments to advance solutions to deal with the outcomes emerging through the massive adoption of those technologies, as well as supporting the expected positive impacts through policies and financial initiatives.