4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride

C19H21ClFNO6S — CID 159973027

IUPAC4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride
SMILESCc1cc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)ccc1Cl.F
InChIInChI=1S/C19H20ClNO6S.FH/c1-13-12-15(4-7-17(13)20)27-14-2-5-16(6-3-14)28(24,25)19(18(22)21-23)8-10-26-11-9-19;/h2-7,12,23H,8-11H2,1H3,(H,21,22);1H
InChIKeyOEUKAUKYYZOYLZ-UHFFFAOYSA-N
MW445.90 g/mol
LogP3.42
Rot. Bonds5

About 4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride

4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride (PubChem CID 159973027) has the molecular formula C19H21ClFNO6S and a molecular weight of 445.90 g/mol. Its IUPAC name is 4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride.

Molecular Properties

Compound Name4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride
PubChem CID159973027
Molecular FormulaC19H21ClFNO6S
Molecular Weight445.90 g/mol
Exact Mass445.08
IUPAC Name4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride
SMILESCc1cc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)ccc1Cl.F
InChIInChI=1S/C19H20ClNO6S.FH/c1-13-12-15(4-7-17(13)20)27-14-2-5-16(6-3-14)28(24,25)19(18(22)21-23)8-10-26-11-9-19;/h2-7,12,23H,8-11H2,1H3,(H,21,22);1H
InChIKeyOEUKAUKYYZOYLZ-UHFFFAOYSA-N
XLogP3.42
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.90
LogP ≤ 53.42
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

N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 10938505
N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620677
2-[4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-1-prop-2-ynylpiperidin-4-yl]-N-hydroxyacetamide;hydrochloride
CID 139932122
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide
CID 58623187
N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide
CID 22707846
N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide
CID 22485342
4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]-N-hydroxyoxane-4-carboxamide
CID 3342298
N-hydroxy-1-methyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 11589972
N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620387
N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 10184126

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride?
The IUPAC name of 4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride (CID 159973027) is 4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride.
What is the SMILES notation for 4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride?
The canonical SMILES for 4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride is Cc1cc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)ccc1Cl.F.
What is the InChIKey of 4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride?
The InChIKey is OEUKAUKYYZOYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO6S.FH/c1-13-12-15(4-7-17(13)20)27-14-2-5-16(6-3-14)28(24,25)19(18(22)21-23)8-10-26-11-9-19;/h2-7,12,23H,8-11H2,1H3,(H,21,22);1H.
What are the key properties of 4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride?
4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride has a molecular weight of 445.90 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-3-methylphenoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrofluoride is sourced from PubChem (CID 159973027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).