C131H135N23O24S6 — CID 159791593
N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-4-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]benzamide;N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;N-hydroxy-4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]benzamide;N-hydroxy-6-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]pyridine-3-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 159791593) has the molecular formula C131H135N23O24S6 and a molecular weight of 2608.06 g/mol. Its IUPAC name is N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-4-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]benzamide;N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;N-hydroxy-4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]benzamide;N-hydroxy-6-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]pyridine-3-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide.
| Compound Name | N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-4-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]benzamide;N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;N-hydroxy-4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]benzamide;N-hydroxy-6-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]pyridine-3-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159791593 |
| Molecular Formula | C131H135N23O24S6 |
| Molecular Weight | 2608.06 g/mol |
| Exact Mass | 2605.84 |
| IUPAC Name | N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)azepan-1-yl]pyrimidine-5-carboxamide;N-hydroxy-4-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]benzamide;N-hydroxy-6-[3-(naphthalen-2-ylsulfonylamino)pyrrolidin-1-yl]pyridine-3-carboxamide;N-hydroxy-4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]benzamide;N-hydroxy-6-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]pyridine-3-carboxamide;N-hydroxy-6-[3-[(4-phenylphenyl)sulfonylamino]pyrrolidin-1-yl]pyridine-3-carboxamide |
| SMILES | O=C(NO)c1ccc(N2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nc1.O=C(NO)c1ccc(N2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1.O=C(NO)c1ccc(N2CCC(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc1.O=C(NO)c1ccc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)C2)cc1.O=C(NO)c1ccc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)C2)nc1.O=C(NO)c1cnc(N2CCCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1 |
| InChI | InChI=1S/C24H25N3O4S.C23H24N4O4S.C22H22N4O4S.C21H23N5O4S.C21H21N3O4S.C20H20N4O4S/c28-24(25-29)20-6-10-22(11-7-20)27-16-14-21(15-17-27)26-32(30,31)23-12-8-19(9-13-23)18-4-2-1-3-5-18;28-23(25-29)19-8-11-22(24-16-19)27-14-12-20(13-15-27)26-32(30,31)21-9-6-18(7-10-21)17-4-2-1-3-5-17;27-22(24-28)18-8-11-21(23-14-18)26-13-12-19(15-26)25-31(29,30)20-9-6-17(7-10-20)16-4-2-1-3-5-16;27-20(24-28)17-13-22-21(23-14-17)26-10-3-6-18(9-11-26)25-31(29,30)19-8-7-15-4-1-2-5-16(15)12-19;25-21(22-26)16-5-8-19(9-6-16)24-12-11-18(14-24)23-29(27,28)20-10-7-15-3-1-2-4-17(15)13-20;25-20(22-26)16-6-8-19(21-12-16)24-10-9-17(13-24)23-29(27,28)18-7-5-14-3-1-2-4-15(14)11-18/h1-13,21,26,29H,14-17H2,(H,25,28);1-11,16,20,26,29H,12-15H2,(H,25,28);1-11,14,19,25,28H,12-13,15H2,(H,24,27);1-2,4-5,7-8,12-14,18,25,28H,3,6,9-11H2,(H,24,27);1-10,13,18,23,26H,11-12,14H2,(H,22,25);1-8,11-12,17,23,26H,9-10,13H2,(H,22,25) |
| InChIKey | NIPZGFLUJNENLO-UHFFFAOYSA-N |
| XLogP | 15.17 |
| TPSA | 656.89 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 184 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2608.06 |
| LogP ≤ 5 | 15.17 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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