6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide

C21H16N4O3S — CID 75397441

IUPAC6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)/C=C/c1ccccc1)c1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C21H16N4O3S/c26-21(24-29(27,28)13-12-16-6-2-1-3-7-16)17-10-11-20(22-14-17)25-15-23-18-8-4-5-9-19(18)25/h1-15H,(H,24,26)/b13-12+
InChIKeyOJMVYHSWGYSYLB-OUKQBFOZSA-N
MW404.45 g/mol
LogP3.15
Rot. Bonds5

About 6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide

6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide (PubChem CID 75397441) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide
PubChem CID75397441
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC Name6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)/C=C/c1ccccc1)c1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C21H16N4O3S/c26-21(24-29(27,28)13-12-16-6-2-1-3-7-16)17-10-11-20(22-14-17)25-15-23-18-8-4-5-9-19(18)25/h1-15H,(H,24,26)/b13-12+
InChIKeyOJMVYHSWGYSYLB-OUKQBFOZSA-N
XLogP3.15
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide 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 6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide?
The IUPAC name of 6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide (CID 75397441) is 6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide is O=C(NS(=O)(=O)/C=C/c1ccccc1)c1ccc(-n2cnc3ccccc32)nc1.
What is the InChIKey of 6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide?
The InChIKey is OJMVYHSWGYSYLB-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H16N4O3S/c26-21(24-29(27,28)13-12-16-6-2-1-3-7-16)17-10-11-20(22-14-17)25-15-23-18-8-4-5-9-19(18)25/h1-15H,(H,24,26)/b13-12+.
What are the key properties of 6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide?
6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-N-[(E)-2-phenylethenyl]sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 75397441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).