N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid

C45H47F9N4O15S2 — CID 157129570

About N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid

N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 157129570) has the molecular formula C45H47F9N4O15S2 and a molecular weight of 1119.00 g/mol. Its IUPAC name is N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 157129570
• Molecular Formula: C45H47F9N4O15S2
• Molecular Weight: 1119.00 g/mol
• Exact Mass: 1118.23
• IUPAC Name: N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(OCC(F)(F)F)cc3)nc2)CCOCC1.O=C(NOC1CCCCO1)C1(S(=O)(=O)c2ccc(-c3ccc(OCC(F)(F)F)cc3)nc2)CCOCC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H27F3N2O7S.C19H19F3N2O6S.C2HF3O2/c25-24(26,27)16-35-18-6-4-17(5-7-18)20-9-8-19(15-28-20)37(31,32)23(10-13-33-14-11-23)22(30)29-36-21-3-1-2-12-34-21;20-19(21,22)12-30-14-3-1-13(2-4-14)16-6-5-15(11-23-16)31(27,28)18(17(25)24-26)7-9-29-10-8-18;3-2(4,5)1(6)7/h4-9,15,21H,1-3,10-14,16H2,(H,29,30);1-6,11,26H,7-10,12H2,(H,24,25);(H,6,7)
• InChIKey: KDZJIUVOKSPNRF-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 265.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1119.00
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid (CID 157129570) is N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(OCC(F)(F)F)cc3)nc2)CCOCC1.O=C(NOC1CCCCO1)C1(S(=O)(=O)c2ccc(-c3ccc(OCC(F)(F)F)cc3)nc2)CCOCC1.O=C(O)C(F)(F)F.

What is the InChIKey of N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is KDZJIUVOKSPNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O7S.C19H19F3N2O6S.C2HF3O2/c25-24(26,27)16-35-18-6-4-17(5-7-18)20-9-8-19(15-28-20)37(31,32)23(10-13-33-14-11-23)22(30)29-36-21-3-1-2-12-34-21;20-19(21,22)12-30-14-3-1-13(2-4-14)16-6-5-15(11-23-16)31(27,28)18(17(25)24-26)7-9-29-10-8-18;3-2(4,5)1(6)7/h4-9,15,21H,1-3,10-14,16H2,(H,29,30);1-6,11,26H,7-10,12H2,(H,24,25);(H,6,7).

What are the key properties of N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid?

N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 1119.00 g/mol, XLogP of 6.74, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;N-(oxan-2-yloxy)-4-[[6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]sulfonyl]oxane-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157129570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).