4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide

C21H25FN2O6S — CID 85065581

IUPAC4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide
SMILESCC1OC(C)(C)CN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1C(=O)NO
InChIInChI=1S/C21H25FN2O6S/c1-14-19(20(25)23-26)24(13-21(2,3)30-14)31(27,28)18-10-8-17(9-11-18)29-12-15-4-6-16(22)7-5-15/h4-11,14,19,26H,12-13H2,1-3H3,(H,23,25)
InChIKeyFZLDHGPNPRYOQM-UHFFFAOYSA-N
MW452.50 g/mol
LogP2.47
Rot. Bonds6

About 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide

4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide (PubChem CID 85065581) has the molecular formula C21H25FN2O6S and a molecular weight of 452.50 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide
PubChem CID85065581
Molecular FormulaC21H25FN2O6S
Molecular Weight452.50 g/mol
Exact Mass452.14
IUPAC Name4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide
SMILESCC1OC(C)(C)CN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1C(=O)NO
InChIInChI=1S/C21H25FN2O6S/c1-14-19(20(25)23-26)24(13-21(2,3)30-14)31(27,28)18-10-8-17(9-11-18)29-12-15-4-6-16(22)7-5-15/h4-11,14,19,26H,12-13H2,1-3H3,(H,23,25)
InChIKeyFZLDHGPNPRYOQM-UHFFFAOYSA-N
XLogP2.47
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide?
The IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide (CID 85065581) is 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide is CC1OC(C)(C)CN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1C(=O)NO.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide?
The InChIKey is FZLDHGPNPRYOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O6S/c1-14-19(20(25)23-26)24(13-21(2,3)30-14)31(27,28)18-10-8-17(9-11-18)29-12-15-4-6-16(22)7-5-15/h4-11,14,19,26H,12-13H2,1-3H3,(H,23,25).
What are the key properties of 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide?
4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide has a molecular weight of 452.50 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide is sourced from PubChem (CID 85065581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).