C89H66F15N19O12S5 — CID 159132189
4-[5-[2-(methanesulfonamido)-5-pyridin-4-ylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-yl-2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[4-pyridin-4-yl-2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide;4-[5-[5-pyridin-4-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 159132189) has the molecular formula C89H66F15N19O12S5 and a molecular weight of 2038.93 g/mol. Its IUPAC name is 4-[5-[2-(methanesulfonamido)-5-pyridin-4-ylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-yl-2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[4-pyridin-4-yl-2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide;4-[5-[5-pyridin-4-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
| Compound Name | 4-[5-[2-(methanesulfonamido)-5-pyridin-4-ylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-yl-2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[4-pyridin-4-yl-2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide;4-[5-[5-pyridin-4-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide |
|---|---|
| PubChem CID | 159132189 |
| Molecular Formula | C89H66F15N19O12S5 |
| Molecular Weight | 2038.93 g/mol |
| Exact Mass | 2037.35 |
| IUPAC Name | 4-[5-[2-(methanesulfonamido)-5-pyridin-4-ylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-yl-2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[4-pyridin-4-yl-2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide;4-[5-[5-pyridin-4-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide |
| SMILES | CC(=O)Nc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.CS(=O)(=O)Nc1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.NC(=O)c1ccc(-c2ccncc2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(-c3ccncc3)ccc2C(F)(F)F)cc1 |
| InChI | InChI=1S/C23H18F3N5O3S.C22H14F6N4O2S.C22H18F3N5O4S2.C22H16F3N5O3S/c1-14(32)29-20-7-2-16(15-8-10-28-11-9-15)12-19(20)21-13-22(23(24,25)26)30-31(21)17-3-5-18(6-4-17)35(27,33)34;23-21(24,25)18-6-1-14(13-7-9-30-10-8-13)11-17(18)19-12-20(22(26,27)28)31-32(19)15-2-4-16(5-3-15)35(29,33)34;1-35(31,32)29-19-7-2-15(14-8-10-27-11-9-14)12-18(19)20-13-21(22(23,24)25)28-30(20)16-3-5-17(6-4-16)36(26,33)34;23-22(24,25)20-12-19(30(29-20)15-2-4-16(5-3-15)34(27,32)33)18-11-14(1-6-17(18)21(26)31)13-7-9-28-10-8-13/h2-13H,1H3,(H,29,32)(H2,27,33,34);1-12H,(H2,29,33,34);2-13,29H,1H3,(H2,26,33,34);1-12H,(H2,26,31)(H2,27,32,33) |
| InChIKey | KHAPEEGWRBLFNN-UHFFFAOYSA-N |
| XLogP | 16.52 |
| TPSA | 481.84 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 140 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2038.93 |
| LogP ≤ 5 | 16.52 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 24 |