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

C20H19N3O2S — CID 118716960

IUPAC4-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C20H19N3O2S/c21-26(24,25)19-10-6-16(7-11-19)12-14-22-15-17-4-8-18(9-5-17)20-3-1-2-13-23-20/h1-11,13,15H,12,14H2,(H2,21,24,25)/b22-15+
InChIKeyDRFFMGXBCQAGLL-PXLXIMEGSA-N
MW365.46 g/mol
LogP3.06
Rot. Bonds6

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

4-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide (PubChem CID 118716960) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide
PubChem CID118716960
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name4-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C20H19N3O2S/c21-26(24,25)19-10-6-16(7-11-19)12-14-22-15-17-4-8-18(9-5-17)20-3-1-2-13-23-20/h1-11,13,15H,12,14H2,(H2,21,24,25)/b22-15+
InChIKeyDRFFMGXBCQAGLL-PXLXIMEGSA-N
XLogP3.06
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.06
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-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide (CID 118716960) is 4-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC/N=C/c2ccc(-c3ccccn3)cc2)cc1.
What is the InChIKey of 4-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is DRFFMGXBCQAGLL-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H19N3O2S/c21-26(24,25)19-10-6-16(7-11-19)12-14-22-15-17-4-8-18(9-5-17)20-3-1-2-13-23-20/h1-11,13,15H,12,14H2,(H2,21,24,25)/b22-15+.
What are the key properties of 4-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide?
4-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-pyridin-2-ylphenyl)methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 118716960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).