2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide

C14H13N3O5S — CID 4023808

IUPAC2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H13N3O5S/c15-23(21,22)13-7-3-11(4-8-13)16-14(18)9-10-1-5-12(6-2-10)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22)
InChIKeyJJIFYZPIRHESKF-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.42
Rot. Bonds5

About 2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide

2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 4023808) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID4023808
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Name2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H13N3O5S/c15-23(21,22)13-7-3-11(4-8-13)16-14(18)9-10-1-5-12(6-2-10)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22)
InChIKeyJJIFYZPIRHESKF-UHFFFAOYSA-N
XLogP1.42
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide (CID 4023808) is 2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is JJIFYZPIRHESKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c15-23(21,22)13-7-3-11(4-8-13)16-14(18)9-10-1-5-12(6-2-10)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22).
What are the key properties of 2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide?
2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 335.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4023808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).