2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide

C14H13N3O6S — CID 2885849

IUPAC2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13N3O6S/c15-24(21,22)13-3-1-2-10(8-13)16-14(18)9-23-12-6-4-11(5-7-12)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22)
InChIKeyAZFLHOQVBKGZCX-UHFFFAOYSA-N
MW351.34 g/mol
LogP1.26
Rot. Bonds6

About 2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide

2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide (PubChem CID 2885849) has the molecular formula C14H13N3O6S and a molecular weight of 351.34 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide
PubChem CID2885849
Molecular FormulaC14H13N3O6S
Molecular Weight351.34 g/mol
Exact Mass351.05
IUPAC Name2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13N3O6S/c15-24(21,22)13-3-1-2-10(8-13)16-14(18)9-23-12-6-4-11(5-7-12)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22)
InChIKeyAZFLHOQVBKGZCX-UHFFFAOYSA-N
XLogP1.26
TPSA141.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide (CID 2885849) is 2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide is NS(=O)(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is AZFLHOQVBKGZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O6S/c15-24(21,22)13-3-1-2-10(8-13)16-14(18)9-23-12-6-4-11(5-7-12)17(19)20/h1-8H,9H2,(H,16,18)(H2,15,21,22).
What are the key properties of 2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide?
2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 351.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2885849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).