C97H72Cl7F9N14O12S3 — CID 162000054
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 162000054) has the molecular formula C97H72Cl7F9N14O12S3 and a molecular weight of 2141.08 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
| Compound Name | 5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 162000054 |
| Molecular Formula | C97H72Cl7F9N14O12S3 |
| Molecular Weight | 2141.08 g/mol |
| Exact Mass | 2136.23 |
| IUPAC Name | 5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(C(F)(F)F)cn3)c2)cc1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(C(F)(F)F)cn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1cnc(NCCO)c(Cl)c1 |
| InChI | InChI=1S/C20H12ClF6N3O.C20H14ClF3N2O3S.C19H16Cl2N4O2.C19H15Cl2N3O3S.C19H15ClN2O3S/c1-10-13(4-7-17(29-10)20(25,26)27)18(31)30-12-3-5-15(21)14(8-12)16-6-2-11(9-28-16)19(22,23)24;1-30(28,29)15-6-2-12(3-7-15)19(27)26-14-5-8-17(21)16(10-14)18-9-4-13(11-25-18)20(22,23)24;20-15-5-4-13(10-14(15)17-3-1-2-6-22-17)25-19(27)12-9-16(21)18(24-11-12)23-7-8-26;1-28(26,27)24-13-5-7-14(17(21)11-13)19(25)23-12-6-8-16(20)15(10-12)18-4-2-3-9-22-18;1-26(24,25)15-8-5-13(6-9-15)19(23)22-14-7-10-17(20)16(12-14)18-4-2-3-11-21-18/h2-9H,1H3,(H,30,31);2-11H,1H3,(H,26,27);1-6,9-11,26H,7-8H2,(H,23,24)(H,25,27);2-11,24H,1H3,(H,23,25);2-12H,1H3,(H,22,23) |
| InChIKey | YSBWBSDDUVWFTC-UHFFFAOYSA-N |
| XLogP | 24.32 |
| TPSA | 382.44 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2141.08 |
| LogP ≤ 5 | 24.32 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 20 |