2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C15H15N3O5S — CID 742879

IUPAC2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O5S/c16-24(22,23)12-7-5-11(6-8-12)9-10-17-15(19)13-3-1-2-4-14(13)18(20)21/h1-8H,9-10H2,(H,17,19)(H2,16,22,23)
InChIKeyLEIOSGBFXZKGIR-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.21
Rot. Bonds6

About 2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 742879) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID742879
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O5S/c16-24(22,23)12-7-5-11(6-8-12)9-10-17-15(19)13-3-1-2-4-14(13)18(20)21/h1-8H,9-10H2,(H,17,19)(H2,16,22,23)
InChIKeyLEIOSGBFXZKGIR-UHFFFAOYSA-N
XLogP1.21
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.21
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'}

Analyze 2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide 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 2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 742879) is 2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is LEIOSGBFXZKGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c16-24(22,23)12-7-5-11(6-8-12)9-10-17-15(19)13-3-1-2-4-14(13)18(20)21/h1-8H,9-10H2,(H,17,19)(H2,16,22,23).
What are the key properties of 2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 349.37 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 742879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).