C65H73F11N10O14S3 — CID 158327025
1-cyclopropyl-N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 158327025) has the molecular formula C65H73F11N10O14S3 and a molecular weight of 1523.53 g/mol. Its IUPAC name is 1-cyclopropyl-N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide.
| Compound Name | 1-cyclopropyl-N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide |
|---|---|
| PubChem CID | 158327025 |
| Molecular Formula | C65H73F11N10O14S3 |
| Molecular Weight | 1523.53 g/mol |
| Exact Mass | 1522.43 |
| IUPAC Name | 1-cyclopropyl-N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide |
| SMILES | COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)F)cn3)cc2)CC1.O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(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)CCN(C2CC2)CC1 |
| InChI | InChI=1S/C22H27F3N4O5S.C22H25F3N4O4S.C21H21F5N2O5S/c1-34-13-12-29-10-8-21(9-11-29,20(30)28-31)35(32,33)18-4-2-16(3-5-18)19-15-26-17(14-27-19)6-7-22(23,24)25;23-22(24,25)8-7-16-13-27-19(14-26-16)15-1-5-18(6-2-15)34(32,33)21(20(30)28-31)9-11-29(12-10-21)17-3-4-17;22-20(23,21(24,25)26)8-7-14-1-6-17(27-13-14)15-2-4-16(5-3-15)34(31,32)19(18(29)28-30)9-11-33-12-10-19/h2-5,14-15,31H,6-13H2,1H3,(H,28,30);1-2,5-6,13-14,17,31H,3-4,7-12H2,(H,28,30);1-6,13,30H,7-12H2,(H,28,29) |
| InChIKey | GPNORVUGDGSUIO-UHFFFAOYSA-N |
| XLogP | 9.02 |
| TPSA | 339.80 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 103 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1523.53 |
| LogP ≤ 5 | 9.02 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 21 |
| 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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