Sorghum shoot fly, Atherigona soccata is one of the serious constraints to sorghum production, and host plant resistance is an important component for controlling this pest. We studied the expression of resistance to A. soccata in a diverse array of sorghum genotypes in relation to composition of leaf surface chemicals during the seedling stage. The sorghum genotypes IS 1054, IS 1057, IS 2146, IS4664, IS 2312, IS 2205, SFCR 125, SFCR 151, ICSV 700, and IS 18551 exhibited antixenosis, and less deadhearts of resistance to sorghum shoot fly, A. soccata. Compounds undecane 5-methyl, decane 4-methyl, hexane 2, 4-methyl, pentadecane 8-hexyl, and dodecane 2, 6, 11-trimethyl, present on the leaf surface of sorghum seedlings, were associated with susceptibility to shoot fly; while 4, 4-dimethyl cyclooctene was associated with resistance to shoot fly. The compounds associated with resistance/susceptibility to shoot fly, can be used as marker traits to select for resistance to this insect, and used as a basis for diversifying and increasing the levels of resistance to this pest. The role of biochemical compounds for developing sorghum varieties with resistance to shoot fly, A. soccata has been discussed.