2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide

C13H13N3O3S2 — CID 647669

IUPAC2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C13H13N3O3S2/c14-21(18,19)11-6-4-10(5-7-11)16-12(17)9-20-13-3-1-2-8-15-13/h1-8H,9H2,(H,16,17)(H2,14,18,19)
InChIKeyZECAEENPAQXTGE-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.46
Rot. Bonds5

About 2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide

2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 647669) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID647669
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC Name2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2ccccn2)cc1
InChIInChI=1S/C13H13N3O3S2/c14-21(18,19)11-6-4-10(5-7-11)16-12(17)9-20-13-3-1-2-8-15-13/h1-8H,9H2,(H,16,17)(H2,14,18,19)
InChIKeyZECAEENPAQXTGE-UHFFFAOYSA-N
XLogP1.46
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide 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-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide (CID 647669) is 2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CSc2ccccn2)cc1.
What is the InChIKey of 2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is ZECAEENPAQXTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c14-21(18,19)11-6-4-10(5-7-11)16-12(17)9-20-13-3-1-2-8-15-13/h1-8H,9H2,(H,16,17)(H2,14,18,19).
What are the key properties of 2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide?
2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 647669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).