Benzaldehyde p-Toluenesulfonylhydrazone

C14H14N2O2S — CID 5368186

IUPACN-[(E)-benzylideneamino]-4-methylbenzenesulfonamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=CC=C2
InChIInChI=1S/C14H14N2O2S/c1-12-7-9-14(10-8-12)19(17,18)16-15-11-13-5-3-2-4-6-13/h2-11,16H,1H3/b15-11+
InChIKeyFZFLTDNAHASQQC-RVDMUPIBSA-N
MW274.34 g/mol
LogP2.90
Rot. Bonds4

About Benzaldehyde p-Toluenesulfonylhydrazone

Benzaldehyde p-Toluenesulfonylhydrazone (PubChem CID 5368186) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameBenzaldehyde p-Toluenesulfonylhydrazone
PubChem CID5368186
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC NameN-[(E)-benzylideneamino]-4-methylbenzenesulfonamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=CC=C2
InChIInChI=1S/C14H14N2O2S/c1-12-7-9-14(10-8-12)19(17,18)16-15-11-13-5-3-2-4-6-13/h2-11,16H,1H3/b15-11+
InChIKeyFZFLTDNAHASQQC-RVDMUPIBSA-N
XLogP2.90
TPSA66.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity386

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

4-((Benzylideneamino)methyl)benzenesulfonamide
CID 45483206
2H-1,2,3-benzothiadiazine-1,1-dione
CID 3294423
Benzenesulfonic acid, benzylidenehydrazide
CID 6863031
2-(Toluene-4-sulfonyl)-2H-benzo(D)(1,2,3)diazaborinin-1-OL
CID 481709
N'-(3-allylcyclohexylidene)-4-methylbenzenesulfonohydrazide
CID 6244004
N-[(E)-(4-fluorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906742
N-[(E)-benzylideneamino]-4-bromobenzenesulfonamide
CID 6873898
N'-[(E)-(2-fluorophenyl)methylidene]benzenesulfonohydrazide
CID 6894293
N-(4-Bromobenzylidene)-p-toluenesulfonamide
CID 5010528
Cyclohexanone p-Toluenesulfonylhydrazone
CID 244768
N-Benzylidenebenzenesulfonamide
CID 555202
N-Benzylidene-4-methylbenzensulfonamide
CID 2755668

Frequently Asked Questions

What is the IUPAC name of Benzaldehyde p-Toluenesulfonylhydrazone?
The IUPAC name of Benzaldehyde p-Toluenesulfonylhydrazone (CID 5368186) is N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for Benzaldehyde p-Toluenesulfonylhydrazone?
The canonical SMILES for Benzaldehyde p-Toluenesulfonylhydrazone is CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=CC=C2.
What is the InChIKey of Benzaldehyde p-Toluenesulfonylhydrazone?
The InChIKey is FZFLTDNAHASQQC-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-12-7-9-14(10-8-12)19(17,18)16-15-11-13-5-3-2-4-6-13/h2-11,16H,1H3/b15-11+.
What are the key properties of Benzaldehyde p-Toluenesulfonylhydrazone?
Benzaldehyde p-Toluenesulfonylhydrazone has a molecular weight of 274.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Benzaldehyde p-Toluenesulfonylhydrazone is sourced from PubChem (CID 5368186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).