C143H145BCl4F6N14O25S6 — CID 158738729
N-(4-chlorophenyl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-(4-chlorophenyl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide;N-(2,4-dichlorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[4-(dimethylamino)-2-methylphenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;[4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]boronic acid;4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,3-trimethylbenzamide (PubChem CID 158738729) has the molecular formula C143H145BCl4F6N14O25S6 and a molecular weight of 2918.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-(4-chlorophenyl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide;N-(2,4-dichlorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[4-(dimethylamino)-2-methylphenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;[4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]boronic acid;4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,3-trimethylbenzamide.
| Compound Name | N-(4-chlorophenyl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-(4-chlorophenyl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide;N-(2,4-dichlorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[4-(dimethylamino)-2-methylphenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;[4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]boronic acid;4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,3-trimethylbenzamide |
|---|---|
| PubChem CID | 158738729 |
| Molecular Formula | C143H145BCl4F6N14O25S6 |
| Molecular Weight | 2918.82 g/mol |
| Exact Mass | 2914.76 |
| IUPAC Name | N-(4-chlorophenyl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-(4-chlorophenyl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide;N-(2,4-dichlorophenyl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[4-(dimethylamino)-2-methylphenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;[4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]phenyl]boronic acid;4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,3-trimethylbenzamide |
| SMILES | CC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1ccc(Cl)cc1.CC(C)c1cc(F)cc(-c2ccncc2)c1CC(=O)NS(=O)(=O)c1ccc(Cl)cc1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(B(O)O)cc2)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2C)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(Cl)cc2Cl)ccn1.COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2ccc(N(C)C)cc2C)ccn1 |
| InChI | InChI=1S/C27H30FN3O5S.C26H30FN3O4S.C23H24BFN2O6S.C23H21Cl2FN2O4S.2C22H20ClFN2O3S/c1-16(2)21-13-20(28)14-22(18-9-10-29-26(12-18)36-6)23(21)15-25(32)30-37(34,35)24-8-7-19(11-17(24)3)27(33)31(4)5;1-16(2)21-13-19(27)14-22(18-9-10-28-26(12-18)34-6)23(21)15-25(31)29-35(32,33)24-8-7-20(30(4)5)11-17(24)3;1-14(2)19-11-17(25)12-20(15-8-9-26-23(10-15)33-3)21(19)13-22(28)27-34(31,32)18-6-4-16(5-7-18)24(29)30;1-13(2)17-10-16(26)11-18(14-6-7-27-23(8-14)32-3)19(17)12-22(29)28-33(30,31)21-5-4-15(24)9-20(21)25;1-14(2)19-11-17(24)12-20(15-7-9-25-10-8-15)21(19)13-22(27)26-30(28,29)18-5-3-16(23)4-6-18;1-14(2)19-10-17(24)11-20(15-4-3-9-25-13-15)21(19)12-22(27)26-30(28,29)18-7-5-16(23)6-8-18/h7-14,16H,15H2,1-6H3,(H,30,32);7-14,16H,15H2,1-6H3,(H,29,31);4-12,14,29-30H,13H2,1-3H3,(H,27,28);4-11,13H,12H2,1-3H3,(H,28,29);3-12,14H,13H2,1-2H3,(H,26,27);3-11,13-14H,12H2,1-2H3,(H,26,27) |
| InChIKey | ILZYPAQPCZGQEF-UHFFFAOYSA-N |
| XLogP | 25.06 |
| TPSA | 557.71 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2918.82 |
| LogP ≤ 5 | 25.06 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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