4-[(benzylideneamino)methyl]benzenesulfonamide

C14H14N2O2S — CID 45483206

IUPAC4-[(benzylideneamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H14N2O2S/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-10H,11H2,(H2,15,17,18)/b16-10+
InChIKeyIUUNKBLBYPIGMX-MHWRWJLKSA-N
MW274.35 g/mol
LogP1.95
Rot. Bonds4

About 4-[(benzylideneamino)methyl]benzenesulfonamide

4-[(benzylideneamino)methyl]benzenesulfonamide (PubChem CID 45483206) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-[(benzylideneamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(benzylideneamino)methyl]benzenesulfonamide
PubChem CID45483206
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-[(benzylideneamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H14N2O2S/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-10H,11H2,(H2,15,17,18)/b16-10+
InChIKeyIUUNKBLBYPIGMX-MHWRWJLKSA-N
XLogP1.95
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.95
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-[(benzylideneamino)methyl]benzenesulfonamide?
The IUPAC name of 4-[(benzylideneamino)methyl]benzenesulfonamide (CID 45483206) is 4-[(benzylideneamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(benzylideneamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(benzylideneamino)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C/N=C/c2ccccc2)cc1.
What is the InChIKey of 4-[(benzylideneamino)methyl]benzenesulfonamide?
The InChIKey is IUUNKBLBYPIGMX-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H14N2O2S/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-10H,11H2,(H2,15,17,18)/b16-10+.
What are the key properties of 4-[(benzylideneamino)methyl]benzenesulfonamide?
4-[(benzylideneamino)methyl]benzenesulfonamide has a molecular weight of 274.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzylideneamino)methyl]benzenesulfonamide is sourced from PubChem (CID 45483206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).