N-[(E)-benzylideneamino]benzenesulfonamide

C13H12N2O2S — CID 6863031

IUPACN-[(E)-benzylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N2O2S/c16-18(17,13-9-5-2-6-10-13)15-14-11-12-7-3-1-4-8-12/h1-11,15H/b14-11+
InChIKeyYTWHIULHUQMATC-SDNWHVSQSA-N
MW260.32 g/mol
LogP2.00
Rot. Bonds4

About N-[(E)-benzylideneamino]benzenesulfonamide

N-[(E)-benzylideneamino]benzenesulfonamide (PubChem CID 6863031) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]benzenesulfonamide
PubChem CID6863031
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN-[(E)-benzylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N2O2S/c16-18(17,13-9-5-2-6-10-13)15-14-11-12-7-3-1-4-8-12/h1-11,15H/b14-11+
InChIKeyYTWHIULHUQMATC-SDNWHVSQSA-N
XLogP2.00
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-benzylideneamino]benzenesulfonamide (CID 6863031) is N-[(E)-benzylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-benzylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-benzylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]benzenesulfonamide?
The InChIKey is YTWHIULHUQMATC-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-18(17,13-9-5-2-6-10-13)15-14-11-12-7-3-1-4-8-12/h1-11,15H/b14-11+.
What are the key properties of N-[(E)-benzylideneamino]benzenesulfonamide?
N-[(E)-benzylideneamino]benzenesulfonamide has a molecular weight of 260.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]benzenesulfonamide is sourced from PubChem (CID 6863031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).