4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide

C18H15N3O2S — CID 118716950

IUPAC4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C18H15N3O2S/c19-24(22,23)17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)18-3-1-2-12-20-18/h1-13H,(H2,19,22,23)/b21-13+
InChIKeyUWQJQPAXOZOEIZ-FYJGNVAPSA-N
MW337.40 g/mol
LogP3.15
Rot. Bonds4

About 4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide

4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 118716950) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide
PubChem CID118716950
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C18H15N3O2S/c19-24(22,23)17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)18-3-1-2-12-20-18/h1-13H,(H2,19,22,23)/b21-13+
InChIKeyUWQJQPAXOZOEIZ-FYJGNVAPSA-N
XLogP3.15
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide (CID 118716950) is 4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccccn3)cc2)cc1.
What is the InChIKey of 4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is UWQJQPAXOZOEIZ-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H15N3O2S/c19-24(22,23)17-10-8-16(9-11-17)21-13-14-4-6-15(7-5-14)18-3-1-2-12-20-18/h1-13H,(H2,19,22,23)/b21-13+.
What are the key properties of 4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide?
4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyridin-2-ylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 118716950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).