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

C13H12N4O6S — CID 71462872

IUPACN-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide
SMILESNS(=O)(=O)c1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1=O
InChIInChI=1S/C13H12N4O6S/c14-24(22,23)12-7-16(5-4-11(12)18)8-13(19)15-9-2-1-3-10(6-9)17(20)21/h1-7H,8H2,(H,15,19)(H2,14,22,23)
InChIKeyXBSWVSBTGPVAJQ-UHFFFAOYSA-N
MW352.33 g/mol
LogP0.04
Rot. Bonds5

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

N-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide (PubChem CID 71462872) has the molecular formula C13H12N4O6S and a molecular weight of 352.33 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide
PubChem CID71462872
Molecular FormulaC13H12N4O6S
Molecular Weight352.33 g/mol
Exact Mass352.05
IUPAC NameN-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide
SMILESNS(=O)(=O)c1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1=O
InChIInChI=1S/C13H12N4O6S/c14-24(22,23)12-7-16(5-4-11(12)18)8-13(19)15-9-2-1-3-10(6-9)17(20)21/h1-7H,8H2,(H,15,19)(H2,14,22,23)
InChIKeyXBSWVSBTGPVAJQ-UHFFFAOYSA-N
XLogP0.04
TPSA154.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide?
The IUPAC name of N-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide (CID 71462872) is N-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide is NS(=O)(=O)c1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1=O.
What is the InChIKey of N-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide?
The InChIKey is XBSWVSBTGPVAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O6S/c14-24(22,23)12-7-16(5-4-11(12)18)8-13(19)15-9-2-1-3-10(6-9)17(20)21/h1-7H,8H2,(H,15,19)(H2,14,22,23).
What are the key properties of N-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide?
N-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide has a molecular weight of 352.33 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-(4-oxo-3-sulfamoyl-1-pyridinyl)acetamide is sourced from PubChem (CID 71462872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).