2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide

C11H11N5O5S — CID 57413825

IUPAC2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cn2ccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H11N5O5S/c12-22(20,21)9-3-1-8(2-4-9)14-10(17)7-15-6-5-13-11(15)16(18)19/h1-6H,7H2,(H,14,17)(H2,12,20,21)
InChIKeyHUFRGRVXHRXCPC-UHFFFAOYSA-N
MW325.31 g/mol
LogP0.08
Rot. Bonds5

About 2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide

2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 57413825) has the molecular formula C11H11N5O5S and a molecular weight of 325.31 g/mol. Its IUPAC name is 2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID57413825
Molecular FormulaC11H11N5O5S
Molecular Weight325.31 g/mol
Exact Mass325.05
IUPAC Name2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)Cn2ccnc2[N+](=O)[O-])cc1
InChIInChI=1S/C11H11N5O5S/c12-22(20,21)9-3-1-8(2-4-9)14-10(17)7-15-6-5-13-11(15)16(18)19/h1-6H,7H2,(H,14,17)(H2,12,20,21)
InChIKeyHUFRGRVXHRXCPC-UHFFFAOYSA-N
XLogP0.08
TPSA150.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 50.08
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 2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (CID 57413825) is 2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)Cn2ccnc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is HUFRGRVXHRXCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O5S/c12-22(20,21)9-3-1-8(2-4-9)14-10(17)7-15-6-5-13-11(15)16(18)19/h1-6H,7H2,(H,14,17)(H2,12,20,21).
What are the key properties of 2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 325.31 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroimidazol-1-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 57413825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).