C125H151F14NO14S6 — CID 159752888
1-[2-[4-(3,5-dimethylcyclohexyl)phenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;1,4-dimethyl-2-(propan-2-ylsulfonylmethyl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;2-ethoxy-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;1-[2-(4-fluorophenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2-(trifluoromethoxy)benzene (PubChem CID 159752888) has the molecular formula C125H151F14NO14S6 and a molecular weight of 2349.95 g/mol. Its IUPAC name is 1-[2-[4-(3,5-dimethylcyclohexyl)phenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;1,4-dimethyl-2-(propan-2-ylsulfonylmethyl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;2-ethoxy-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;1-[2-(4-fluorophenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2-(trifluoromethoxy)benzene.
| Compound Name | 1-[2-[4-(3,5-dimethylcyclohexyl)phenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;1,4-dimethyl-2-(propan-2-ylsulfonylmethyl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;2-ethoxy-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;1-[2-(4-fluorophenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2-(trifluoromethoxy)benzene |
|---|---|
| PubChem CID | 159752888 |
| Molecular Formula | C125H151F14NO14S6 |
| Molecular Weight | 2349.95 g/mol |
| Exact Mass | 2347.92 |
| IUPAC Name | 1-[2-[4-(3,5-dimethylcyclohexyl)phenyl]ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;3,4-dimethyl-2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine;1,4-dimethyl-2-(propan-2-ylsulfonylmethyl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene;2-ethoxy-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1-(trifluoromethyl)benzene;1-[2-(4-fluorophenyl)ethyl]-4-(propan-2-ylsulfonylmethyl)benzene;1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2-(trifluoromethoxy)benzene |
| SMILES | CC(C)S(=O)(=O)Cc1ccc(CCc2ccc(F)c(OC(F)(F)F)c2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc(F)cc2)cc1.CC1CC(C)CC(c2ccc(CCc3ccc(CS(=O)(=O)C(C)C)cc3)cc2)C1.CCOc1cc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)c1C.Cc1cc(CS(=O)(=O)C(C)C)c(C)cc1CCc1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C26H36O2S.C21H25F3O3S.C21H25F3O2S.C20H24F3NO2S.C19H20F4O3S.C18H21FO2S/c1-19(2)29(27,28)18-24-9-7-22(8-10-24)5-6-23-11-13-25(14-12-23)26-16-20(3)15-21(4)17-26;1-4-27-20-13-17(11-12-19(20)21(22,23)24)8-5-16-6-9-18(10-7-16)14-28(25,26)15(2)3;1-14(2)27(25,26)13-19-12-15(3)18(11-16(19)4)8-5-17-6-9-20(10-7-17)21(22,23)24;1-13(2)27(25,26)12-17-7-5-16(6-8-17)9-10-19-15(4)14(3)18(11-24-19)20(21,22)23;1-13(2)27(24,25)12-16-7-4-14(5-8-16)3-6-15-9-10-17(20)18(11-15)26-19(21,22)23;1-14(2)22(20,21)13-17-7-5-15(6-8-17)3-4-16-9-11-18(19)12-10-16/h7-14,19-21,26H,5-6,15-18H2,1-4H3;6-7,9-13,15H,4-5,8,14H2,1-3H3;6-7,9-12,14H,5,8,13H2,1-4H3;5-8,11,13H,9-10,12H2,1-4H3;4-5,7-11,13H,3,6,12H2,1-2H3;5-12,14H,3-4,13H2,1-2H3 |
| InChIKey | NDWJREXYSDTBBT-UHFFFAOYSA-N |
| XLogP | 30.57 |
| TPSA | 236.19 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 160 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2349.95 |
| LogP ≤ 5 | 30.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |