C80H63Cl5F3N15O9S2 — CID 162203276
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide (PubChem CID 162203276) has the molecular formula C80H63Cl5F3N15O9S2 and a molecular weight of 1676.87 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide.
| Compound Name | 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide |
|---|---|
| PubChem CID | 162203276 |
| Molecular Formula | C80H63Cl5F3N15O9S2 |
| Molecular Weight | 1676.87 g/mol |
| Exact Mass | 1673.28 |
| IUPAC Name | 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-[4-chloro-3-[5-(methylcarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methanesulfonamido)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(triazol-1-ylmethyl)benzamide |
| SMILES | CNC(=O)c1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cn2ccnn2)cc1 |
| InChI | InChI=1S/C21H16ClF3N4O2.C21H16ClN5O.C20H16Cl2N2O3S.C18H15ClN4O3S/c1-11-14(5-8-18(28-11)21(23,24)25)20(31)29-13-4-6-16(22)15(9-13)17-7-3-12(10-27-17)19(30)26-2;22-19-9-8-17(13-18(19)20-3-1-2-10-23-20)25-21(28)16-6-4-15(5-7-16)14-27-12-11-24-26-27;1-28(26,27)12-13-5-7-15(18(22)10-13)20(25)24-14-6-8-17(21)16(11-14)19-4-2-3-9-23-19;1-27(25,26)23-17-8-5-12(11-21-17)18(24)22-13-6-7-15(19)14(10-13)16-4-2-3-9-20-16/h3-10H,1-2H3,(H,26,30)(H,29,31);1-13H,14H2,(H,25,28);2-11H,12H2,1H3,(H,24,25);2-11H,1H3,(H,21,23)(H,22,24) |
| InChIKey | ZRVZRVBGYDDSQV-UHFFFAOYSA-N |
| XLogP | 17.30 |
| TPSA | 333.86 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 114 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1676.87 |
| LogP ≤ 5 | 17.30 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 18 |