N-(4-azidosulfonylphenyl)-2-oxoacetamide

C8H6N4O4S — CID 122550572

IUPACN-(4-azidosulfonylphenyl)-2-oxoacetamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(NC(=O)C=O)cc1
InChIInChI=1S/C8H6N4O4S/c9-11-12-17(15,16)7-3-1-6(2-4-7)10-8(14)5-13/h1-5H,(H,10,14)
InChIKeyGIYUSSLIUZMYQJ-UHFFFAOYSA-N
MW254.23 g/mol
LogP0.82
Rot. Bonds4

About N-(4-azidosulfonylphenyl)-2-oxoacetamide

N-(4-azidosulfonylphenyl)-2-oxoacetamide (PubChem CID 122550572) has the molecular formula C8H6N4O4S and a molecular weight of 254.23 g/mol. Its IUPAC name is N-(4-azidosulfonylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-azidosulfonylphenyl)-2-oxoacetamide
PubChem CID122550572
Molecular FormulaC8H6N4O4S
Molecular Weight254.23 g/mol
Exact Mass254.01
IUPAC NameN-(4-azidosulfonylphenyl)-2-oxoacetamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccc(NC(=O)C=O)cc1
InChIInChI=1S/C8H6N4O4S/c9-11-12-17(15,16)7-3-1-6(2-4-7)10-8(14)5-13/h1-5H,(H,10,14)
InChIKeyGIYUSSLIUZMYQJ-UHFFFAOYSA-N
XLogP0.82
TPSA129.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-azidosulfonylphenyl)acetamide
CID 5129185
1,3-bis(4-azidosulfonylphenyl)propan-2-yl N-(4-azidosulfonylphenyl)carbamate
CID 134273139
sodium 4-azidosulfonylbenzoate
CID 24767650
N-diazo-4-methylbenzenesulfonamide
CID 13661
N-(4-hydroxyphenyl)-2-oxoacetamide
CID 22743962
N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide
CID 122550578
1-(4-azidosulfonylphenyl)-3-[(3-benzyl-5-tert-butyl-4-hydroxyphenyl)methyl]urea
CID 21428028
N-(2-azidosulfonylphenyl)acetamide
CID 87142558
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754
N-diazo-4-(4-ethylphenoxy)benzenesulfonamide
CID 91323840
2-hydroxyimino-N-(4-sulfamoylphenyl)acetamide
CID 53396757
4-cyclohexyl-N-diazobenzenesulfonamide
CID 43286634

Frequently Asked Questions

What is the IUPAC name of N-(4-azidosulfonylphenyl)-2-oxoacetamide?
The IUPAC name of N-(4-azidosulfonylphenyl)-2-oxoacetamide (CID 122550572) is N-(4-azidosulfonylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(4-azidosulfonylphenyl)-2-oxoacetamide?
The canonical SMILES for N-(4-azidosulfonylphenyl)-2-oxoacetamide is [N-]=[N+]=NS(=O)(=O)c1ccc(NC(=O)C=O)cc1.
What is the InChIKey of N-(4-azidosulfonylphenyl)-2-oxoacetamide?
The InChIKey is GIYUSSLIUZMYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O4S/c9-11-12-17(15,16)7-3-1-6(2-4-7)10-8(14)5-13/h1-5H,(H,10,14).
What are the key properties of N-(4-azidosulfonylphenyl)-2-oxoacetamide?
N-(4-azidosulfonylphenyl)-2-oxoacetamide has a molecular weight of 254.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidosulfonylphenyl)-2-oxoacetamide is sourced from PubChem (CID 122550572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).