C104H91Cl5F3N15O15S4 — CID 159817720
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide (PubChem CID 159817720) has the molecular formula C104H91Cl5F3N15O15S4 and a molecular weight of 2153.49 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide.
| Compound Name | 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide |
|---|---|
| PubChem CID | 159817720 |
| Molecular Formula | C104H91Cl5F3N15O15S4 |
| Molecular Weight | 2153.49 g/mol |
| Exact Mass | 2149.41 |
| IUPAC Name | 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-[4-chloro-3-[4-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide |
| SMILES | CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)CC1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2cc(CO)ccn2)c1 |
| InChI | InChI=1S/C24H23ClN4O4S.C21H20ClN3O3S.C20H15ClF3N3O2.C20H17ClN2O3S.C19H16ClN3O3S/c1-17(30)28-12-14-29(15-13-28)34(32,33)20-8-5-18(6-9-20)24(31)27-19-7-10-22(25)21(16-19)23-4-2-3-11-26-23;1-14(2)29(27,28)25-16-8-6-15(7-9-16)21(26)24-17-10-11-19(22)18(13-17)20-5-3-4-12-23-20;1-11-14(3-5-18(26-11)20(22,23)24)19(29)27-13-2-4-16(21)15(9-13)17-8-12(10-28)6-7-25-17;1-27(25,26)13-14-5-7-15(8-6-14)20(24)23-16-9-10-18(21)17(12-16)19-4-2-3-11-22-19;1-27(25,26)23-14-7-5-13(6-8-14)19(24)22-15-9-10-17(20)16(12-15)18-4-2-3-11-21-18/h2-11,16H,12-15H2,1H3,(H,27,31);3-14,25H,1-2H3,(H,24,26);2-9,28H,10H2,1H3,(H,27,29);2-12H,13H2,1H3,(H,23,24);2-12,23H,1H3,(H,22,24) |
| InChIKey | NLVFGKRUEXLOKP-UHFFFAOYSA-N |
| XLogP | 21.41 |
| TPSA | 427.24 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2153.49 |
| LogP ≤ 5 | 21.41 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 21 |