C88H90N14O16S4 — CID 158451017
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 (PubChem CID 158451017) has the molecular formula C88H90N14O16S4 and a molecular weight of 1728.04 g/mol. Its IUPAC name is 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.
| Compound Name | 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 |
|---|---|
| PubChem CID | 158451017 |
| Molecular Formula | C88H90N14O16S4 |
| Molecular Weight | 1728.04 g/mol |
| Exact Mass | 1726.55 |
| IUPAC Name | 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 |
| SMILES | 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 |
| InChI | InChI=1S/C24H25N3O4S.C23H24N4O4S.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;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);1-10,13,18,23,26H,11-12,14H2,(H,22,25);1-8,11-12,17,23,26H,9-10,13H2,(H,22,25) |
| InChIKey | HDZDWIKPYINVGZ-UHFFFAOYSA-N |
| XLogP | 10.66 |
| TPSA | 420.74 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 122 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1728.04 |
| LogP ≤ 5 | 10.66 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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