4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

C23H24ClN3O7S — CID 20620465

IUPAC4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(Cl)cc4)no3)cc2)CCOCC1
InChIInChI=1S/C23H24ClN3O7S/c24-17-5-3-16(4-6-17)21-25-20(34-27-21)2-1-13-33-18-7-9-19(10-8-18)35(30,31)23(22(28)26-29)11-14-32-15-12-23/h3-10,29H,1-2,11-15H2,(H,26,28)
InChIKeyAKKHFUMGJSPTFN-UHFFFAOYSA-N
MW521.98 g/mol
LogP3.23
Rot. Bonds9

About 4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 20620465) has the molecular formula C23H24ClN3O7S and a molecular weight of 521.98 g/mol. Its IUPAC name is 4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID20620465
Molecular FormulaC23H24ClN3O7S
Molecular Weight521.98 g/mol
Exact Mass521.10
IUPAC Name4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(Cl)cc4)no3)cc2)CCOCC1
InChIInChI=1S/C23H24ClN3O7S/c24-17-5-3-16(4-6-17)21-25-20(34-27-21)2-1-13-33-18-7-9-19(10-8-18)35(30,31)23(22(28)26-29)11-14-32-15-12-23/h3-10,29H,1-2,11-15H2,(H,26,28)
InChIKeyAKKHFUMGJSPTFN-UHFFFAOYSA-N
XLogP3.23
TPSA140.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.98
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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Related Compounds

N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620454
4-[4-[3-[3-(2,6-difluoro-1-propan-2-ylpyridin-1-ium-4-yl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620425
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
4-[4-[3-(4-fluoro-3-phenylphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620563
N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620677
N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162309468
N-hydroxy-4-[4-(3-oxo-3-phenylpropoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10159973
N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620438
N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride
CID 158898130
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-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620590
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 20620465) is 4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(Cl)cc4)no3)cc2)CCOCC1.
What is the InChIKey of 4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is AKKHFUMGJSPTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O7S/c24-17-5-3-16(4-6-17)21-25-20(34-27-21)2-1-13-33-18-7-9-19(10-8-18)35(30,31)23(22(28)26-29)11-14-32-15-12-23/h3-10,29H,1-2,11-15H2,(H,26,28).
What are the key properties of 4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 521.98 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 20620465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).