Structure

InChI Key WOXOLLSAICIZNO-UHFFFAOYSA-N
Smile Nc1cc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cnc1-c1nnc(CO)o1
InChI
InChI=1S/C15H11F3N4O5S/c16-15(17,18)27-8-1-3-9(4-2-8)28(24,25)10-5-11(19)13(20-6-10)14-22-21-12(7-23)26-14/h1-6,23H,7,19H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11F3N4O5S
Molecular Weight 416.34
AlogP 1.94
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 141.43
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cystic Fibrosis 2 D003550 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4802150
FDA SRS W2F2XU189O