C133H161ClF3N15O47S7 — CID 158094775
5-(4-butoxypiperidin-1-yl)sulfonyl-N-hydroxy-1,3-benzodioxole-4-carboxamide;6-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-2,3-dimethoxybenzamide;N-hydroxy-2,3-dimethoxy-6-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenoxypiperidin-1-yl)sulfonylbenzamide;N-hydroxy-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzodioxole-4-carboxamide;N-hydroxy-2-(oxan-4-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylbenzamide (PubChem CID 158094775) has the molecular formula C133H161ClF3N15O47S7 and a molecular weight of 3038.72 g/mol. Its IUPAC name is 5-(4-butoxypiperidin-1-yl)sulfonyl-N-hydroxy-1,3-benzodioxole-4-carboxamide;6-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-2,3-dimethoxybenzamide;N-hydroxy-2,3-dimethoxy-6-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenoxypiperidin-1-yl)sulfonylbenzamide;N-hydroxy-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzodioxole-4-carboxamide;N-hydroxy-2-(oxan-4-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylbenzamide.
| Compound Name | 5-(4-butoxypiperidin-1-yl)sulfonyl-N-hydroxy-1,3-benzodioxole-4-carboxamide;6-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-2,3-dimethoxybenzamide;N-hydroxy-2,3-dimethoxy-6-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenoxypiperidin-1-yl)sulfonylbenzamide;N-hydroxy-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzodioxole-4-carboxamide;N-hydroxy-2-(oxan-4-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylbenzamide |
|---|---|
| PubChem CID | 158094775 |
| Molecular Formula | C133H161ClF3N15O47S7 |
| Molecular Weight | 3038.72 g/mol |
| Exact Mass | 3035.84 |
| IUPAC Name | 5-(4-butoxypiperidin-1-yl)sulfonyl-N-hydroxy-1,3-benzodioxole-4-carboxamide;6-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-2,3-dimethoxybenzamide;N-hydroxy-2,3-dimethoxy-6-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2,3-dimethoxy-6-(4-phenoxypiperidin-1-yl)sulfonylbenzamide;N-hydroxy-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzodioxole-4-carboxamide;N-hydroxy-2-(oxan-4-yloxy)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbenzamide;N-hydroxy-2-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylbenzamide |
| SMILES | CC1CCN(S(=O)(=O)c2ccc3c(c2C(=O)NO)OCO3)CC1.CCCCOC1CCN(S(=O)(=O)c2ccc3c(c2C(=O)NO)OCO3)CC1.COc1ccc(OC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3C(=O)NO)CC2)cc1.COc1ccc(S(=O)(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c(C(=O)NO)c1OC.COc1ccc(S(=O)(=O)N2CCC(Oc3ccccc3)CC2)c(C(=O)NO)c1OC.O=C(NO)c1c(OC2CCOCC2)cccc1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1.O=C(NO)c1ccccc1S(=O)(=O)N1CCC(Oc2ccccn2)CC1 |
| InChI | InChI=1S/C24H27F3N2O7S.C21H26N2O8S.C20H23ClN2O7S.C20H24N2O7S.C17H19N3O5S.C17H24N2O7S.C14H18N2O6S/c25-24(26,27)16-4-6-17(7-5-16)35-18-8-12-29(13-9-18)37(32,33)21-3-1-2-20(22(21)23(30)28-31)36-19-10-14-34-15-11-19;1-28-14-4-6-15(7-5-14)31-16-10-12-23(13-11-16)32(26,27)18-9-8-17(29-2)20(30-3)19(18)21(24)22-25;1-28-16-7-8-17(18(19(16)29-2)20(24)22-25)31(26,27)23-11-9-15(10-12-23)30-14-5-3-13(21)4-6-14;1-27-16-8-9-17(18(19(16)28-2)20(23)21-24)30(25,26)22-12-10-15(11-13-22)29-14-6-4-3-5-7-14;21-17(19-22)14-5-1-2-6-15(14)26(23,24)20-11-8-13(9-12-20)25-16-7-3-4-10-18-16;1-2-3-10-24-12-6-8-19(9-7-12)27(22,23)14-5-4-13-16(26-11-25-13)15(14)17(20)18-21;1-9-4-6-16(7-5-9)23(19,20)11-3-2-10-13(22-8-21-10)12(11)14(17)15-18/h1-7,18-19,31H,8-15H2,(H,28,30);4-9,16,25H,10-13H2,1-3H3,(H,22,24);3-8,15,25H,9-12H2,1-2H3,(H,22,24);3-9,15,24H,10-13H2,1-2H3,(H,21,23);1-7,10,13,22H,8-9,11-12H2,(H,19,21);4-5,12,21H,2-3,6-11H2,1H3,(H,18,20);2-3,9,18H,4-8H2,1H3,(H,15,17) |
| InChIKey | FONNVHNYYNXDIM-UHFFFAOYSA-N |
| XLogP | 14.33 |
| TPSA | 795.23 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 206 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3038.72 |
| LogP ≤ 5 | 14.33 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 48 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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