Generally, you should look for the difference between "dynamic envelope" and "static envelope" - the actual payload fairing (static) has to be much larger than the payload, because it vibrates and deforms quite strong during ascent, the room really available for a payload is the dynamic envelope.
This empty space around the payload is also needed for circulation of air on pad and during ascent.
So, for a given payload, you could simply assume a cylindrical dynamic payload envelope.
How you minimize the radius of the envelope is up to you, generally you have a small conflict between the size of the envelope and the position of the payload CoG off the center line. A small antenna boom sticking out does little to the CoG, but means a large change to dynamic envelope, so you might want to move the payload a bit off center during launch and deployment to fit it into a given envelope.