C87H94F16N12O18S4 — CID 158405494
1-cyclopropyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 158405494) has the molecular formula C87H94F16N12O18S4 and a molecular weight of 2028.01 g/mol. Its IUPAC name is 1-cyclopropyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide.
| Compound Name | 1-cyclopropyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide |
|---|---|
| PubChem CID | 158405494 |
| Molecular Formula | C87H94F16N12O18S4 |
| Molecular Weight | 2028.01 g/mol |
| Exact Mass | 2026.54 |
| IUPAC Name | 1-cyclopropyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide |
| SMILES | O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(F)C(F)(F)F)cn3)cc2)CCN(C2CC2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CCN(C2CC2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)C(F)(F)F)cn3)cc2)CCOCC1.O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)F)cn3)cc2)CCOCC1 |
| InChI | InChI=1S/C24H26F5N3O4S.C24H28F3N3O4S.C20H20F5N3O5S.C19H20F3N3O5S/c25-23(26,24(27,28)29)10-9-16-1-8-20(30-15-16)17-2-6-19(7-3-17)37(35,36)22(21(33)31-34)11-13-32(14-12-22)18-4-5-18;25-24(26,27)11-1-2-17-3-10-21(28-16-17)18-4-8-20(9-5-18)35(33,34)23(22(31)29-32)12-14-30(15-13-23)19-6-7-19;21-19(22,20(23,24)25)6-5-14-11-27-16(12-26-14)13-1-3-15(4-2-13)34(31,32)18(17(29)28-30)7-9-33-10-8-18;20-19(21,22)6-5-14-11-24-16(12-23-14)13-1-3-15(4-2-13)31(28,29)18(17(26)25-27)7-9-30-10-8-18/h1-3,6-8,15,18,34H,4-5,9-14H2,(H,31,33);3-5,8-10,16,19,32H,1-2,6-7,11-15H2,(H,29,31);1-4,11-12,30H,5-10H2,(H,28,29);1-4,11-12,27H,5-10H2,(H,25,26) |
| InChIKey | GYQFGDOLUGAGDW-UHFFFAOYSA-N |
| XLogP | 13.63 |
| TPSA | 436.16 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 137 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2028.01 |
| LogP ≤ 5 | 13.63 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'} |
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