N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide

C14H14N2O2S — CID 5368186

IUPACN-[(E)-benzylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccccc2)cc1
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
MW274.35 g/mol
LogP2.31
Rot. Bonds4

About N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide

N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide (PubChem CID 5368186) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-methylbenzenesulfonamide
PubChem CID5368186
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-[(E)-benzylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccccc2)cc1
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
XLogP2.31
TPSA58.53 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 ≤ 52.31
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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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 N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide (CID 5368186) is N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide?
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 N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 274.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 5368186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).