Leadership transformation is critical to advancing sustainable development goals and addressing the escalating environmental, social, and economic challenges organizations and societies face. This research aims to review the necessary theories and identify the best practices leaders can use to make sustainable changes. It particularly deems the changing salience of leadership in underpinning sustainability initiatives in various corporate, industrial, and cultural settings as relevant. Employing qualitative insights from case studies and an extensive review of peer-reviewed literature, the study examines the competencies, behaviors, and contextual factors that enable leadership transformation for sustainability. Among these competencies, visionary leadership, ethical decision-making, flexibility, and the skills for fostering collaborative stakeholder engagement are the most strategic in delivering and sustaining change. The study additionally points out obstacles to change, such as resistance, unawareness, and culture, while implementing change. Furthermore, this paper provides effective ways of dealing with the challenges. The study’s implications focus on the leadership process of integrating organizational objectives to pursue sustainable development goals and create value for stakeholders regarding societal challenges and the United Nations’ Sustainable Development Goals. While sector- and region-specific, the research offers generalizable findings and practical suggestions for executives who want to advance sustainability across various industries and geographies. This paper delivers a novel sustainability leadership transformation framework, emphasizing the significant potential for leadership and policy to bring sustainability into their ringing sustainability into leadership which will help them understand how to solve sustainable development issues and support sustainable change in society.