C100H74Cl6F9N21O19S — CID 159023626
6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;2-[2-chloro-5-[(3,5-dimethoxybenzoyl)amino]phenyl]-N-hydroxypyrimidine-5-carboxamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]pyrimidin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(hydroxycarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 159023626) has the molecular formula C100H74Cl6F9N21O19S and a molecular weight of 2289.59 g/mol. Its IUPAC name is 6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;2-[2-chloro-5-[(3,5-dimethoxybenzoyl)amino]phenyl]-N-hydroxypyrimidine-5-carboxamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]pyrimidin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(hydroxycarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-N-hydroxypyrimidine-5-carboxamide.
| Compound Name | 6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;2-[2-chloro-5-[(3,5-dimethoxybenzoyl)amino]phenyl]-N-hydroxypyrimidine-5-carboxamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]pyrimidin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(hydroxycarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-N-hydroxypyrimidine-5-carboxamide |
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| PubChem CID | 159023626 |
| Molecular Formula | C100H74Cl6F9N21O19S |
| Molecular Weight | 2289.59 g/mol |
| Exact Mass | 2285.32 |
| IUPAC Name | 6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;2-[2-chloro-5-[(3,5-dimethoxybenzoyl)amino]phenyl]-N-hydroxypyrimidine-5-carboxamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]pyrimidin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[5-(hydroxycarbamoyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-N-hydroxypyrimidine-5-carboxamide |
| SMILES | COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3ncc(C(=O)NO)cn3)c2)c1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(C(=O)NO)cn3)c2)c(Cl)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)NO)cn2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ncc(/C=C/C(=O)NO)cn2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2ncc(C(=O)NO)cn2)c1 |
| InChI | InChI=1S/C21H15ClF3N5O3.C20H15Cl2N3O5S.C20H14ClF3N4O3.C20H17ClN4O5.C19H13ClF3N5O3/c1-11-14(4-6-17(28-11)21(23,24)25)20(32)29-13-3-5-16(22)15(8-13)19-26-9-12(10-27-19)2-7-18(31)30-33;1-31(29,30)13-4-5-14(17(22)9-13)20(27)24-12-3-6-16(21)15(8-12)18-7-2-11(10-23-18)19(26)25-28;1-10-13(4-7-17(26-10)20(22,23)24)19(30)27-12-3-5-15(21)14(8-12)16-6-2-11(9-25-16)18(29)28-31;1-29-14-5-11(6-15(8-14)30-2)19(26)24-13-3-4-17(21)16(7-13)18-22-9-12(10-23-18)20(27)25-28;1-9-12(3-5-15(26-9)19(21,22)23)18(30)27-11-2-4-14(20)13(6-11)16-24-7-10(8-25-16)17(29)28-31/h2-10,33H,1H3,(H,29,32)(H,30,31);2-10,28H,1H3,(H,24,27)(H,25,26);2-9,31H,1H3,(H,27,30)(H,28,29);3-10,28H,1-2H3,(H,24,26)(H,25,27);2-8,31H,1H3,(H,27,30)(H,28,29)/b7-2+;;;; |
| InChIKey | JTZZTHVWBWJDOC-UOUORMRASA-N |
| XLogP | 19.69 |
| TPSA | 586.54 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2289.59 |
| LogP ≤ 5 | 19.69 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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