C108H86Cl7F3N16O23S2 — CID 160949154
2-chloro-N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;6-[2-chloro-5-[(3,5-dimethoxybenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-3,5-dimethoxybenzamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 160949154) has the molecular formula C108H86Cl7F3N16O23S2 and a molecular weight of 2345.26 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;6-[2-chloro-5-[(3,5-dimethoxybenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-3,5-dimethoxybenzamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
| Compound Name | 2-chloro-N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;6-[2-chloro-5-[(3,5-dimethoxybenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-3,5-dimethoxybenzamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 160949154 |
| Molecular Formula | C108H86Cl7F3N16O23S2 |
| Molecular Weight | 2345.26 g/mol |
| Exact Mass | 2340.33 |
| IUPAC Name | 2-chloro-N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-4-methylsulfonylbenzamide;6-[2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;6-[2-chloro-5-[(3,5-dimethoxybenzoyl)amino]phenyl]-N-hydroxypyridine-3-carboxamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-3,5-dimethoxybenzamide;N-[4-chloro-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3ccc(/C=C/C(=O)NO)cn3)c2)c1.COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3ccc(C(=O)NO)cn3)c2)c1.CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(/C=C/C(=O)NO)cn3)c2)c(Cl)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=C/C(=O)NO)cn2)c1 |
| InChI | InChI=1S/C23H20ClN3O5.C22H17Cl2N3O5S.C22H16ClF3N4O3.C21H18ClN3O5.C20H15Cl2N3O5S/c1-31-17-9-15(10-18(12-17)32-2)23(29)26-16-5-6-20(24)19(11-16)21-7-3-14(13-25-21)4-8-22(28)27-30;1-33(31,32)15-5-6-16(19(24)11-15)22(29)26-14-4-7-18(23)17(10-14)20-8-2-13(12-25-20)3-9-21(28)27-30;1-12-15(5-8-19(28-12)22(24,25)26)21(32)29-14-4-6-17(23)16(10-14)18-7-2-13(11-27-18)3-9-20(31)30-33;1-29-15-7-13(8-16(10-15)30-2)20(26)24-14-4-5-18(22)17(9-14)19-6-3-12(11-23-19)21(27)25-28;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/h3-13,30H,1-2H3,(H,26,29)(H,27,28);2-12,30H,1H3,(H,26,29)(H,27,28);2-11,33H,1H3,(H,29,32)(H,30,31);3-11,28H,1-2H3,(H,24,26)(H,25,27);2-10,28H,1H3,(H,24,27)(H,25,26)/b8-4+;2*9-3+;; |
| InChIKey | SVNHFONZCLCOIJ-FNCIACFMSA-N |
| XLogP | 20.94 |
| TPSA | 574.69 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2345.26 |
| LogP ≤ 5 | 20.94 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 29 |
| 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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