N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide

C13H12N4O8S2 — CID 71459359

IUPACN-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide
SMILESNS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O
InChIInChI=1S/C13H12N4O8S2/c14-26(22,23)12-7-16(6-5-11(12)18)8-13(19)15-27(24,25)10-3-1-9(2-4-10)17(20)21/h1-7H,8H2,(H,15,19)(H2,14,22,23)
InChIKeyLWJSKBAKYBBUDZ-UHFFFAOYSA-N
MW416.39 g/mol
LogP-1.09
Rot. Bonds6

About N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide

N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide (PubChem CID 71459359) has the molecular formula C13H12N4O8S2 and a molecular weight of 416.39 g/mol. Its IUPAC name is N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide
PubChem CID71459359
Molecular FormulaC13H12N4O8S2
Molecular Weight416.39 g/mol
Exact Mass416.01
IUPAC NameN-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide
SMILESNS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O
InChIInChI=1S/C13H12N4O8S2/c14-26(22,23)12-7-16(6-5-11(12)18)8-13(19)15-27(24,25)10-3-1-9(2-4-10)17(20)21/h1-7H,8H2,(H,15,19)(H2,14,22,23)
InChIKeyLWJSKBAKYBBUDZ-UHFFFAOYSA-N
XLogP-1.09
TPSA188.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide 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-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide?
The IUPAC name of N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide (CID 71459359) is N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide?
The canonical SMILES for N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide is NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O.
What is the InChIKey of N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide?
The InChIKey is LWJSKBAKYBBUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O8S2/c14-26(22,23)12-7-16(6-5-11(12)18)8-13(19)15-27(24,25)10-3-1-9(2-4-10)17(20)21/h1-7H,8H2,(H,15,19)(H2,14,22,23).
What are the key properties of N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide?
N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide has a molecular weight of 416.39 g/mol, XLogP of -1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)sulfonyl-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide is sourced from PubChem (CID 71459359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).