4-[2-(benzylideneamino)ethyl]benzenesulfonamide

C15H16N2O2S — CID 71415156

IUPAC4-[2-(benzylideneamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2ccccc2)cc1
InChIInChI=1S/C15H16N2O2S/c16-20(18,19)15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H2,16,18,19)/b17-12+
InChIKeyPLCQVPWOCPLUCO-SFQUDFHCSA-N
MW288.37 g/mol
LogP2.00
Rot. Bonds5

About 4-[2-(benzylideneamino)ethyl]benzenesulfonamide

4-[2-(benzylideneamino)ethyl]benzenesulfonamide (PubChem CID 71415156) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-[2-(benzylideneamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(benzylideneamino)ethyl]benzenesulfonamide
PubChem CID71415156
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-[2-(benzylideneamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2ccccc2)cc1
InChIInChI=1S/C15H16N2O2S/c16-20(18,19)15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H2,16,18,19)/b17-12+
InChIKeyPLCQVPWOCPLUCO-SFQUDFHCSA-N
XLogP2.00
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(benzylideneamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(benzylideneamino)ethyl]benzenesulfonamide (CID 71415156) is 4-[2-(benzylideneamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(benzylideneamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(benzylideneamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC/N=C/c2ccccc2)cc1.
What is the InChIKey of 4-[2-(benzylideneamino)ethyl]benzenesulfonamide?
The InChIKey is PLCQVPWOCPLUCO-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-20(18,19)15-8-6-13(7-9-15)10-11-17-12-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H2,16,18,19)/b17-12+.
What are the key properties of 4-[2-(benzylideneamino)ethyl]benzenesulfonamide?
4-[2-(benzylideneamino)ethyl]benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylideneamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 71415156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).