N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide

C9H11N3O5S — CID 3047114

IUPACN-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C(=O)NO)cc1
InChIInChI=1S/C9H11N3O5S/c1-6-2-4-7(5-3-6)18(16,17)12-10-8(13)9(14)11-15/h2-5,12,15H,1H3,(H,10,13)(H,11,14)
InChIKeyCXWHVCBNZIAMNT-UHFFFAOYSA-N
MW273.27 g/mol
LogP-1.19
Rot. Bonds3

About N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide

N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide (PubChem CID 3047114) has the molecular formula C9H11N3O5S and a molecular weight of 273.27 g/mol. Its IUPAC name is N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide
PubChem CID3047114
Molecular FormulaC9H11N3O5S
Molecular Weight273.27 g/mol
Exact Mass273.04
IUPAC NameN-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C(=O)NO)cc1
InChIInChI=1S/C9H11N3O5S/c1-6-2-4-7(5-3-6)18(16,17)12-10-8(13)9(14)11-15/h2-5,12,15H,1H3,(H,10,13)(H,11,14)
InChIKeyCXWHVCBNZIAMNT-UHFFFAOYSA-N
XLogP-1.19
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The IUPAC name of N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide (CID 3047114) is N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide is Cc1ccc(S(=O)(=O)NNC(=O)C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The InChIKey is CXWHVCBNZIAMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5S/c1-6-2-4-7(5-3-6)18(16,17)12-10-8(13)9(14)11-15/h2-5,12,15H,1H3,(H,10,13)(H,11,14).
What are the key properties of N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide?
N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide has a molecular weight of 273.27 g/mol, XLogP of -1.19, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 3047114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).