N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide

C18H19NO5S2 — CID 22485342

IUPACN-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Sc3ccccc3)cc2)CCOCC1
InChIInChI=1S/C18H19NO5S2/c20-17(19-21)18(10-12-24-13-11-18)26(22,23)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14/h1-9,21H,10-13H2,(H,19,20)
InChIKeyJQHLFVDZHGPVKT-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.67
Rot. Bonds5

About N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide

N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide (PubChem CID 22485342) has the molecular formula C18H19NO5S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide
PubChem CID22485342
Molecular FormulaC18H19NO5S2
Molecular Weight393.49 g/mol
Exact Mass393.07
IUPAC NameN-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Sc3ccccc3)cc2)CCOCC1
InChIInChI=1S/C18H19NO5S2/c20-17(19-21)18(10-12-24-13-11-18)26(22,23)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14/h1-9,21H,10-13H2,(H,19,20)
InChIKeyJQHLFVDZHGPVKT-UHFFFAOYSA-N
XLogP2.67
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.67
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-[4-(4-acetylpiperazin-1-yl)phenyl]sulfanylphenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 22985922
N-hydroxy-1-methylsulfonyl-4-(4-phenylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 11684850
N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyl-1-propan-2-ylpiperidine-4-carboxamide
CID 22485358
N-hydroxy-4-[4-[4-(1,2,4-triazol-1-yl)phenyl]sulfanylphenyl]sulfonyloxane-4-carboxamide
CID 22985918
N-hydroxy-4-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]sulfonyloxane-4-carboxamide
CID 46891108
N-hydroxy-4-[4-(3-oxo-3-phenylpropoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10159973
N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide
CID 58623187
N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620387
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
4-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonyl-N-methylanilino]butanoic acid
CID 10272307
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
N-hydroxy-1-methyl-4-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]sulfonylpiperidine-4-carboxamide
CID 59966497

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide (CID 22485342) is N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(Sc3ccccc3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide?
The InChIKey is JQHLFVDZHGPVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S2/c20-17(19-21)18(10-12-24-13-11-18)26(22,23)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14/h1-9,21H,10-13H2,(H,19,20).
What are the key properties of N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide?
N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide is sourced from PubChem (CID 22485342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).