N-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide

C16H17N3O5S — CID 58623168

IUPACN-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnccn3)cc2)CCOCC1
InChIInChI=1S/C16H17N3O5S/c20-15(19-21)16(5-9-24-10-6-16)25(22,23)13-3-1-12(2-4-13)14-11-17-7-8-18-14/h1-4,7-8,11,21H,5-6,9-10H2,(H,19,20)
InChIKeySMDXTEKROCHTCL-UHFFFAOYSA-N
MW363.39 g/mol
LogP0.97
Rot. Bonds4

About N-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide

N-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide (PubChem CID 58623168) has the molecular formula C16H17N3O5S and a molecular weight of 363.39 g/mol. Its IUPAC name is N-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide
PubChem CID58623168
Molecular FormulaC16H17N3O5S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC NameN-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3cnccn3)cc2)CCOCC1
InChIInChI=1S/C16H17N3O5S/c20-15(19-21)16(5-9-24-10-6-16)25(22,23)13-3-1-12(2-4-13)14-11-17-7-8-18-14/h1-4,7-8,11,21H,5-6,9-10H2,(H,19,20)
InChIKeySMDXTEKROCHTCL-UHFFFAOYSA-N
XLogP0.97
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.97
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-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide (CID 58623168) is N-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnccn3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide?
The InChIKey is SMDXTEKROCHTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c20-15(19-21)16(5-9-24-10-6-16)25(22,23)13-3-1-12(2-4-13)14-11-17-7-8-18-14/h1-4,7-8,11,21H,5-6,9-10H2,(H,19,20).
What are the key properties of N-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide?
N-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-pyrazin-2-ylphenyl)sulfonyloxane-4-carboxamide is sourced from PubChem (CID 58623168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).