N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide

C17H18N2O6S — CID 20735364

IUPACN-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)CCOCC1
InChIInChI=1S/C17H18N2O6S/c20-16(19-21)17(7-11-24-12-8-17)26(22,23)15-3-1-13(2-4-15)25-14-5-9-18-10-6-14/h1-6,9-10,21H,7-8,11-12H2,(H,19,20)
InChIKeyBIHFHTLMZBLJAX-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.70
Rot. Bonds5

About N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide

N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide (PubChem CID 20735364) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide
PubChem CID20735364
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC NameN-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)CCOCC1
InChIInChI=1S/C17H18N2O6S/c20-16(19-21)17(7-11-24-12-8-17)26(22,23)15-3-1-13(2-4-15)25-14-5-9-18-10-6-14/h1-6,9-10,21H,7-8,11-12H2,(H,19,20)
InChIKeyBIHFHTLMZBLJAX-UHFFFAOYSA-N
XLogP1.70
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide (CID 20735364) is N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide?
The InChIKey is BIHFHTLMZBLJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c20-16(19-21)17(7-11-24-12-8-17)26(22,23)15-3-1-13(2-4-15)25-14-5-9-18-10-6-14/h1-6,9-10,21H,7-8,11-12H2,(H,19,20).
What are the key properties of N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide?
N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20735364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).