This paper presents a comprehensive review on the effect and mechanism of sorghum (Sorghum bicolor) grain composition on the quality of Chinese baijiu. Sorghum has emerged as the fifth largest cereal crop worldwide due to its agricultural advantages, such as drought and barren tolerance. Moreover, it can be processed and utilized in various ways, thus playing a crucial role in ensuring food security. Chinese baijiu, which is mainly brewed from sorghum grain, has gained immense popularity among Chinese consumers owing to its distinctive flavor. Previous studies have indicated that the quality of sorghum baijiu is significantly influenced by the quality of raw material, with key determinants including starch, protein, tannin, fat, and other components in sorghum grain. Understanding the mechanism of these constituents on affecting baijiu quality is of paramount importance in enhancing and developing flavors that cater to diverse consumer preferences. This paper provided a comprehensive summary on the parameters of sorghum grain quality, in association with baijiu quality, and also highlighted the potential areas for future research in the sorghum baijiu industry.