N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide

C22H21F7N2O5S — CID 10007916

About N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 10007916) has the molecular formula C22H21F7N2O5S and a molecular weight of 558.47 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide
• PubChem CID: 10007916
• Molecular Formula: C22H21F7N2O5S
• Molecular Weight: 558.47 g/mol
• Exact Mass: 558.11
• IUPAC Name: N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide
• SMILES: O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(C(F)(F)F)C(F)(F)F)cn3)cc2)CCOCC1
• InChI: InChI=1S/C22H21F7N2O5S/c23-20(21(24,25)26,22(27,28)29)8-7-14-1-6-17(30-13-14)15-2-4-16(5-3-15)37(34,35)19(18(32)31-33)9-11-36-12-10-19/h1-6,13,33H,7-12H2,(H,31,32)
• InChIKey: WFOREQWTQKRTEQ-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 105.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.47
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?

The IUPAC name of N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide (CID 10007916) is N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide.

What is the SMILES notation for N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?

The canonical SMILES for N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCC(F)(C(F)(F)F)C(F)(F)F)cn3)cc2)CCOCC1.

What is the InChIKey of N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?

The InChIKey is WFOREQWTQKRTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F7N2O5S/c23-20(21(24,25)26,22(27,28)29)8-7-14-1-6-17(30-13-14)15-2-4-16(5-3-15)37(34,35)19(18(32)31-33)9-11-36-12-10-19/h1-6,13,33H,7-12H2,(H,31,32).

What are the key properties of N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide?

N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 558.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10007916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).