C121H107Cl2F4N15O22S7 — CID 159972225
4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-methylsulfonylphenyl)benzamide;6-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide;2-(dimethylamino)-N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;4-[3-(dimethylamino)-2-pyridinyl]-3-methoxy-N-(4-methylsulfonylphenyl)benzamide;4-(3-methoxy-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide;N-(4-methylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide (PubChem CID 159972225) has the molecular formula C121H107Cl2F4N15O22S7 and a molecular weight of 2494.64 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-methylsulfonylphenyl)benzamide;6-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide;2-(dimethylamino)-N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;4-[3-(dimethylamino)-2-pyridinyl]-3-methoxy-N-(4-methylsulfonylphenyl)benzamide;4-(3-methoxy-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide;N-(4-methylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide.
| Compound Name | 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-methylsulfonylphenyl)benzamide;6-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide;2-(dimethylamino)-N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;4-[3-(dimethylamino)-2-pyridinyl]-3-methoxy-N-(4-methylsulfonylphenyl)benzamide;4-(3-methoxy-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide;N-(4-methylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide |
|---|---|
| PubChem CID | 159972225 |
| Molecular Formula | C121H107Cl2F4N15O22S7 |
| Molecular Weight | 2494.64 g/mol |
| Exact Mass | 2491.51 |
| IUPAC Name | 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-methylsulfonylphenyl)benzamide;6-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)pyridine-3-carboxamide;2-(dimethylamino)-N-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;4-[3-(dimethylamino)-2-pyridinyl]-3-methoxy-N-(4-methylsulfonylphenyl)benzamide;4-(3-methoxy-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide;N-(4-methylsulfonylphenyl)-4-(3-methylsulfonyl-2-pyridinyl)benzamide |
| SMILES | CN(C)c1cc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(S(C)(=O)=O)cc1.COc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ccc1-c1ncccc1N(C)C.COc1cccnc1-c1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)c(F)c2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)nc2)cc1.CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ncccc3S(C)(=O)=O)cc2)cc1 |
| InChI | InChI=1S/C22H20F3N3O3S.C22H23N3O4S.C20H18N2O5S2.C20H18N2O4S.C19H14ClFN2O3S.C18H14ClN3O3S/c1-28(2)19-13-14(20-18(22(23,24)25)5-4-12-26-20)6-11-17(19)21(29)27-15-7-9-16(10-8-15)32(3,30)31;1-25(2)19-6-5-13-23-21(19)18-12-7-15(14-20(18)29-3)22(26)24-16-8-10-17(11-9-16)30(4,27)28;1-28(24,25)17-11-9-16(10-12-17)22-20(23)15-7-5-14(6-8-15)19-18(29(2,26)27)4-3-13-21-19;1-26-18-4-3-13-21-19(18)14-5-7-15(8-6-14)20(23)22-16-9-11-17(12-10-16)27(2,24)25;1-27(25,26)14-7-5-13(6-8-14)23-19(24)12-4-9-15(17(21)11-12)18-16(20)3-2-10-22-18;1-26(24,25)14-7-5-13(6-8-14)22-18(23)12-4-9-16(21-11-12)17-15(19)3-2-10-20-17/h4-13H,1-3H3,(H,27,29);5-14H,1-4H3,(H,24,26);3-13H,1-2H3,(H,22,23);3-13H,1-2H3,(H,22,23);2-11H,1H3,(H,23,24);2-11H,1H3,(H,22,23) |
| InChIKey | OERRRONBTXVXMM-UHFFFAOYSA-N |
| XLogP | 21.84 |
| TPSA | 528.75 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 171 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2494.64 |
| LogP ≤ 5 | 21.84 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 31 |