C91H97N13O16S4 — CID 159875490
N-hydroxy-3-methyl-4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]benzamide;N-hydroxy-3-methyl-4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]benzamide;N-hydroxy-4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]benzamide;N-hydroxy-6-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 159875490) has the molecular formula C91H97N13O16S4 and a molecular weight of 1757.12 g/mol. Its IUPAC name is N-hydroxy-3-methyl-4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]benzamide;N-hydroxy-3-methyl-4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]benzamide;N-hydroxy-4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]benzamide;N-hydroxy-6-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyridine-3-carboxamide.
| Compound Name | N-hydroxy-3-methyl-4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]benzamide;N-hydroxy-3-methyl-4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]benzamide;N-hydroxy-4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]benzamide;N-hydroxy-6-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159875490 |
| Molecular Formula | C91H97N13O16S4 |
| Molecular Weight | 1757.12 g/mol |
| Exact Mass | 1755.61 |
| IUPAC Name | N-hydroxy-3-methyl-4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]benzamide;N-hydroxy-3-methyl-4-[4-[(4-phenylphenyl)sulfonylamino]piperidin-1-yl]benzamide;N-hydroxy-4-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]benzamide;N-hydroxy-6-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyridine-3-carboxamide |
| SMILES | Cc1cc(C(=O)NO)ccc1N1CCC(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1.Cc1cc(C(=O)NO)ccc1N1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1.O=C(NO)c1ccc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1.O=C(NO)c1ccc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1 |
| InChI | InChI=1S/C25H27N3O4S.C23H25N3O4S.C22H23N3O4S.C21H22N4O4S/c1-18-17-21(25(29)26-30)9-12-24(18)28-15-13-22(14-16-28)27-33(31,32)23-10-7-20(8-11-23)19-5-3-2-4-6-19;1-16-14-19(23(27)24-28)7-9-22(16)26-12-10-20(11-13-26)25-31(29,30)21-8-6-17-4-2-3-5-18(17)15-21;26-22(23-27)17-5-8-20(9-6-17)25-13-11-19(12-14-25)24-30(28,29)21-10-7-16-3-1-2-4-18(16)15-21;26-21(23-27)17-6-8-20(22-14-17)25-11-9-18(10-12-25)24-30(28,29)19-7-5-15-3-1-2-4-16(15)13-19/h2-12,17,22,27,30H,13-16H2,1H3,(H,26,29);2-9,14-15,20,25,28H,10-13H2,1H3,(H,24,27);1-10,15,19,24,27H,11-14H2,(H,23,26);1-8,13-14,18,24,27H,9-12H2,(H,23,26) |
| InChIKey | NSVUKEQDNKUUKD-UHFFFAOYSA-N |
| XLogP | 12.15 |
| TPSA | 407.85 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 124 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1757.12 |
| LogP ≤ 5 | 12.15 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|