4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

C26H26FNO6S — CID 20620341

IUPAC4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCc3cccc(-c4ccccc4F)c3)cc2)CCOCC1
InChIInChI=1S/C26H26FNO6S/c27-24-7-2-1-6-23(24)20-5-3-4-19(18-20)12-15-34-21-8-10-22(11-9-21)35(31,32)26(25(29)28-30)13-16-33-17-14-26/h1-11,18,30H,12-17H2,(H,28,29)
InChIKeyOZYDQPWCWDBALU-UHFFFAOYSA-N
MW499.56 g/mol
LogP3.94
Rot. Bonds8

About 4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 20620341) has the molecular formula C26H26FNO6S and a molecular weight of 499.56 g/mol. Its IUPAC name is 4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID20620341
Molecular FormulaC26H26FNO6S
Molecular Weight499.56 g/mol
Exact Mass499.15
IUPAC Name4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCc3cccc(-c4ccccc4F)c3)cc2)CCOCC1
InChIInChI=1S/C26H26FNO6S/c27-24-7-2-1-6-23(24)20-5-3-4-19(18-20)12-15-34-21-8-10-22(11-9-21)35(31,32)26(25(29)28-30)13-16-33-17-14-26/h1-11,18,30H,12-17H2,(H,28,29)
InChIKeyOZYDQPWCWDBALU-UHFFFAOYSA-N
XLogP3.94
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 53.94
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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Related Compounds

4-[4-[3-(4-fluoro-3-phenylphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620563
4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 162021469
N-hydroxy-4-[4-[2-[4-(3-hydroxyphenyl)phenyl]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[4-(4-hydroxyphenyl)phenyl]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(3-hydroxyphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-hydroxyphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 157108031
N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620438
4-[4-[3-[3-(3,5-dimethylphenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620448
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
4-[4-[3-[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20780929
4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 161308294
4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-propan-2-ylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 159939376
4-[4-[3-[3-(3,5-difluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;1-ethyl-N-hydroxy-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;4-[4-[3-[3-(4-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-[4-(trifluoromethoxy)phenyl]phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 157231750
4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide
CID 158147702
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 20620341) is 4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(OCCc3cccc(-c4ccccc4F)c3)cc2)CCOCC1.
What is the InChIKey of 4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is OZYDQPWCWDBALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO6S/c27-24-7-2-1-6-23(24)20-5-3-4-19(18-20)12-15-34-21-8-10-22(11-9-21)35(31,32)26(25(29)28-30)13-16-33-17-14-26/h1-11,18,30H,12-17H2,(H,28,29).
What are the key properties of 4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 499.56 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 20620341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).