N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide

C21H25NO5S — CID 58623187

IUPACN-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide
SMILESCCCc1ccc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C21H25NO5S/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)28(25,26)21(20(23)22-24)12-14-27-15-13-21/h4-11,24H,2-3,12-15H2,1H3,(H,22,23)
InChIKeyJSEAVXRQQONCKS-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.13
Rot. Bonds6

About N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide (PubChem CID 58623187) has the molecular formula C21H25NO5S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide
PubChem CID58623187
Molecular FormulaC21H25NO5S
Molecular Weight403.50 g/mol
Exact Mass403.15
IUPAC NameN-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide
SMILESCCCc1ccc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1
InChIInChI=1S/C21H25NO5S/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)28(25,26)21(20(23)22-24)12-14-27-15-13-21/h4-11,24H,2-3,12-15H2,1H3,(H,22,23)
InChIKeyJSEAVXRQQONCKS-UHFFFAOYSA-N
XLogP3.13
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
4-[4-[4-butoxy-3-(trifluoromethyl)phenyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 58623255
N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162309468
N-hydroxy-4-[4-(4-propylphenoxy)phenyl]sulfonylthiane-4-carboxamide
CID 20735533
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 11755916
N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620677
N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide
CID 22485342
4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10410493
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
4-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonyl-N-methylanilino]butanoic acid
CID 10272307

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide (CID 58623187) is N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide is CCCc1ccc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is JSEAVXRQQONCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5S/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)28(25,26)21(20(23)22-24)12-14-27-15-13-21/h4-11,24H,2-3,12-15H2,1H3,(H,22,23).
What are the key properties of N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 58623187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).