Surfactants containing more than one head group are known to exhibit a wide range of interesting properties as they undergo aggregation in water. The correlation between the molecular structure of these surfactants and their properties (for example, critical micellar concentration, aggregation number, morphology, counterion dissociation, fractional charge, etc.) can provide useful information to define the structure-activity relationship. The influence of the number of head groups on the surfactant aggregation is further evident from interesting interfacial behavior, seen in biological applications. This Perspective highlights recent trends in surfactant aggregation effects and focuses on emerging challenges in the field.