C163H156F21N17O39S8 — CID 169424968
N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-3-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-3-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-4-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 169424968) has the molecular formula C163H156F21N17O39S8 and a molecular weight of 3632.61 g/mol. Its IUPAC name is N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-3-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-3-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-4-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]sulfonyloxane-4-carboxamide.
| Compound Name | N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-3-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-3-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-4-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]sulfonyloxane-4-carboxamide |
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| PubChem CID | 169424968 |
| Molecular Formula | C163H156F21N17O39S8 |
| Molecular Weight | 3632.61 g/mol |
| Exact Mass | 3629.82 |
| IUPAC Name | N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-3-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-3-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(pyridin-4-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]sulfonyloxane-4-carboxamide |
| SMILES | O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCN(Cc2ccccn2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCN(Cc2cccnc2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCN(Cc2ccncc2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(Cc2ccccn2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(Cc2cccnc2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)CCOCC1 |
| InChI | InChI=1S/2C25H24F3N3O6S.3C25H24F3N3O5S.C19H18F3NO6S2.C19H18F3NO6S/c26-25(27,28)37-21-5-3-19(4-6-21)36-20-7-9-22(10-8-20)38(34,35)24(23(32)30-33)11-14-31(15-12-24)17-18-2-1-13-29-16-18;26-25(27,28)37-21-6-4-19(5-7-21)36-20-8-10-22(11-9-20)38(34,35)24(23(32)30-33)12-15-31(16-13-24)17-18-3-1-2-14-29-18;26-25(27,28)19-1-3-20(4-2-19)36-21-5-7-22(8-6-21)37(34,35)24(23(32)30-33)11-15-31(16-12-24)17-18-9-13-29-14-10-18;26-25(27,28)19-3-5-20(6-4-19)36-21-7-9-22(10-8-21)37(34,35)24(23(32)30-33)11-14-31(15-12-24)17-18-2-1-13-29-16-18;26-25(27,28)18-4-6-20(7-5-18)36-21-8-10-22(11-9-21)37(34,35)24(23(32)30-33)12-15-31(16-13-24)17-19-3-1-2-14-29-19;20-19(21,22)30-15-5-1-13(2-6-15)29-14-3-7-16(8-4-14)31(26,27)18(17(24)23-25)9-11-28-12-10-18;20-19(21,22)13-1-3-14(4-2-13)29-15-5-7-16(8-6-15)30(26,27)18(17(24)23-25)9-11-28-12-10-18/h1-10,13,16,33H,11-12,14-15,17H2,(H,30,32);1-11,14,33H,12-13,15-17H2,(H,30,32);1-10,13-14,33H,11-12,15-17H2,(H,30,32);1-10,13,16,33H,11-12,14-15,17H2,(H,30,32);1-11,14,33H,12-13,15-17H2,(H,30,32);1-8,25H,9-12H2,(H,23,24);1-8,25H,9-12H2,(H,23,24) |
| InChIKey | DZUHZEASGKYLSZ-UHFFFAOYSA-N |
| XLogP | 28.04 |
| TPSA | 766.47 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 248 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3632.61 |
| LogP ≤ 5 | 28.04 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 50 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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