4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C107H79F12N15O9S4 — CID 158399566

About 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide

4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 158399566) has the molecular formula C107H79F12N15O9S4 and a molecular weight of 2075.15 g/mol. Its IUPAC name is 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
• PubChem CID: 158399566
• Molecular Formula: C107H79F12N15O9S4
• Molecular Weight: 2075.15 g/mol
• Exact Mass: 2073.49
• IUPAC Name: 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
• SMILES: CN(C)Cc1ccc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1.FC(F)(F)c1sc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1-c1ccccc1.NS(=O)(=O)c1ccc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1.NS(=O)(=O)c1ccc(-c2noc(-c3ccc(C4CCCCC4)cc3)n2)cc1
• InChI: InChI=1S/C24H20F3N3O.C21H14F3N3O3S.2C21H12F3N3OS.C20H21N3O3S/c1-30(2)15-16-8-10-18(11-9-16)22-28-23(31-29-22)19-12-13-20(17-6-4-3-5-7-17)21(14-19)24(25,26)27;22-21(23,24)18-12-15(8-11-17(18)13-4-2-1-3-5-13)20-26-19(27-30-20)14-6-9-16(10-7-14)31(25,28)29;22-21(23,24)18-15(12-5-2-1-3-6-12)11-17(29-18)20-26-19(27-28-20)14-7-4-8-16-13(14)9-10-25-16;22-21(23,24)18-15(12-4-2-1-3-5-12)11-17(29-18)20-26-19(27-28-20)14-6-7-16-13(10-14)8-9-25-16;21-27(24,25)18-12-10-16(11-13-18)19-22-20(26-23-19)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h3-14H,15H2,1-2H3;1-12H,(H2,25,28,29);2*1-11,25H;6-14H,1-5H2,(H2,21,24,25)
• InChIKey: GXXZCLCVBOKEGQ-UHFFFAOYSA-N
• XLogP: 28.25
• TPSA: 349.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2075.15
LogP ≤ 5	28.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?

The IUPAC name of 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 158399566) is 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

What is the SMILES notation for 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?

The canonical SMILES for 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is CN(C)Cc1ccc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1.FC(F)(F)c1sc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1-c1ccccc1.FC(F)(F)c1sc(-c2nc(-c3cccc4[nH]ccc34)no2)cc1-c1ccccc1.NS(=O)(=O)c1ccc(-c2noc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1.NS(=O)(=O)c1ccc(-c2noc(-c3ccc(C4CCCCC4)cc3)n2)cc1.

What is the InChIKey of 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?

The InChIKey is GXXZCLCVBOKEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O.C21H14F3N3O3S.2C21H12F3N3OS.C20H21N3O3S/c1-30(2)15-16-8-10-18(11-9-16)22-28-23(31-29-22)19-12-13-20(17-6-4-3-5-7-17)21(14-19)24(25,26)27;22-21(23,24)18-12-15(8-11-17(18)13-4-2-1-3-5-13)20-26-19(27-30-20)14-6-9-16(10-7-14)31(25,28)29;22-21(23,24)18-15(12-5-2-1-3-6-12)11-17(29-18)20-26-19(27-28-20)14-7-4-8-16-13(14)9-10-25-16;22-21(23,24)18-15(12-4-2-1-3-5-12)11-17(29-18)20-26-19(27-28-20)14-6-7-16-13(10-14)8-9-25-16;21-27(24,25)18-12-10-16(11-13-18)19-22-20(26-23-19)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h3-14H,15H2,1-2H3;1-12H,(H2,25,28,29);2*1-11,25H;6-14H,1-5H2,(H2,21,24,25).

What are the key properties of 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?

4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 2075.15 g/mol, XLogP of 28.25, 19 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide;N,N-dimethyl-1-[4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;3-(1H-indol-4-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;3-(1H-indol-5-yl)-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole;4-[5-[4-phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 158399566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).