4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride

C14H15ClN2O2S — CID 90677341

IUPAC4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(C/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H14N2O2S.ClH/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);1H/b16-10+;
InChIKeyWGXBHTPEGKPXQW-QFHYWFJHSA-N
MW310.81 g/mol
LogP2.37
Rot. Bonds4

About 4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride

4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride (PubChem CID 90677341) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride
PubChem CID90677341
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(C/N=C/c2ccccc2)cc1
InChIInChI=1S/C14H14N2O2S.ClH/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);1H/b16-10+;
InChIKeyWGXBHTPEGKPXQW-QFHYWFJHSA-N
XLogP2.37
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.37
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;hydrochloride?
The IUPAC name of 4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride (CID 90677341) is 4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(C/N=C/c2ccccc2)cc1.
What is the InChIKey of 4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride?
The InChIKey is WGXBHTPEGKPXQW-QFHYWFJHSA-N. The full InChI is InChI=1S/C14H14N2O2S.ClH/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);1H/b16-10+;.
What are the key properties of 4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride?
4-[(benzylideneamino)methyl]benzenesulfonamide;hydrochloride has a molecular weight of 310.81 g/mol, XLogP of 2.37, 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;hydrochloride is sourced from PubChem (CID 90677341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).