C88H82F12N16O8S4 — CID 157261286
4-[5-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-methylpiperidin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 157261286) has the molecular formula C88H82F12N16O8S4 and a molecular weight of 1847.97 g/mol. Its IUPAC name is 4-[5-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-methylpiperidin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
| Compound Name | 4-[5-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-methylpiperidin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide |
|---|---|
| PubChem CID | 157261286 |
| Molecular Formula | C88H82F12N16O8S4 |
| Molecular Weight | 1847.97 g/mol |
| Exact Mass | 1846.52 |
| IUPAC Name | 4-[5-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-methylpiperidin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide |
| SMILES | Cc1ccc(C2=CCN(C)CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C2=CN=CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C2=NC=CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C2CCN(C)CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1 |
| InChI | InChI=1S/C23H25F3N4O2S.C23H23F3N4O2S.2C21H17F3N4O2S/c2*1-15-3-4-17(16-9-11-29(2)12-10-16)13-20(15)21-14-22(23(24,25)26)28-30(21)18-5-7-19(8-6-18)33(27,31)32;1-13-2-3-14(15-8-9-26-12-15)10-18(13)19-11-20(21(22,23)24)27-28(19)16-4-6-17(7-5-16)31(25,29)30;1-13-4-5-14(18-3-2-10-26-18)11-17(13)19-12-20(21(22,23)24)27-28(19)15-6-8-16(9-7-15)31(25,29)30/h3-8,13-14,16H,9-12H2,1-2H3,(H2,27,31,32);3-9,13-14H,10-12H2,1-2H3,(H2,27,31,32);2-7,9-12H,8H2,1H3,(H2,25,29,30);2,4-12H,3H2,1H3,(H2,25,29,30) |
| InChIKey | AXMINYWTUMQDPW-UHFFFAOYSA-N |
| XLogP | 17.11 |
| TPSA | 343.12 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 128 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1847.97 |
| LogP ≤ 5 | 17.11 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |