4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

C23H28FNO5S — CID 58623151

IUPAC4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCCCCCc1ccc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c(F)c1
InChIInChI=1S/C23H28FNO5S/c1-2-3-4-5-17-6-11-20(21(24)16-17)18-7-9-19(10-8-18)31(28,29)23(22(26)25-27)12-14-30-15-13-23/h6-11,16,27H,2-5,12-15H2,1H3,(H,25,26)
InChIKeyZYUYYUPAEDWHJC-UHFFFAOYSA-N
MW449.54 g/mol
LogP4.05
Rot. Bonds8

About 4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 58623151) has the molecular formula C23H28FNO5S and a molecular weight of 449.54 g/mol. Its IUPAC name is 4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID58623151
Molecular FormulaC23H28FNO5S
Molecular Weight449.54 g/mol
Exact Mass449.17
IUPAC Name4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCCCCCc1ccc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c(F)c1
InChIInChI=1S/C23H28FNO5S/c1-2-3-4-5-17-6-11-20(21(24)16-17)18-7-9-19(10-8-18)31(28,29)23(22(26)25-27)12-14-30-15-13-23/h6-11,16,27H,2-5,12-15H2,1H3,(H,25,26)
InChIKeyZYUYYUPAEDWHJC-UHFFFAOYSA-N
XLogP4.05
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 58623151) is 4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is CCCCCc1ccc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)c(F)c1.
What is the InChIKey of 4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is ZYUYYUPAEDWHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO5S/c1-2-3-4-5-17-6-11-20(21(24)16-17)18-7-9-19(10-8-18)31(28,29)23(22(26)25-27)12-14-30-15-13-23/h6-11,16,27H,2-5,12-15H2,1H3,(H,25,26).
What are the key properties of 4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoro-4-pentylphenyl)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 58623151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).