The literature review lacks empirical studies on the role of big data analytics (BDA) and green technological innovation capabilities (GTICs) in promoting the sustainable performance of the manufacturing industry. The primary objective of this study is to examine the role of BDA-technology capability, GTIC, and environmental orientation toward green production and sustainable firm performance. Moreover, this research paper investigates the mediating role of green production and green competitive advantage and the moderating role of corporate reputation and supply chain innovativeness. Primary data was collected from Pakistani manufacturing firms through the survey method. Structural equation modeling was applied to measure and verify the relationship of proposed hypotheses. Empirical findings show BDA technology capability, GTIC, and environmental orientation positively contribute to green production. Moreover, green production helps achieve a green competitive advantage, and green competitive advantage positively influences sustainable firm performance. Furthermore, mediating role of green production and green competitive advantage and moderating role of corporate reputation and supply chain innovativeness was also confirmed. This study contributes by developing a comprehensive model showing the relationship between organizational capabilities, BDA technology capability, GTIC, and sustainable firm performance by considering potential mediators and moderators. Thus, this research suggests enhancing green production and sustainable firm performance through adopting BDA technology capability and GTIC by Pakistani manufacturing firms.