[4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate

C22H20N2O5S — CID 110518046

IUPAC[4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate
SMILESCOc1ccc(C)cc1S(=O)(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O5S/c1-16-8-13-20(28-2)21(14-16)30(26,27)24-23-15-17-9-11-19(12-10-17)29-22(25)18-6-4-3-5-7-18/h3-15,24H,1-2H3/b23-15+
InChIKeyDCWPDKYVFGPUDC-HZHRSRAPSA-N
MW424.48 g/mol
LogP3.54
Rot. Bonds7

About [4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate

[4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate (PubChem CID 110518046) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is [4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate
PubChem CID110518046
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name[4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate
SMILESCOc1ccc(C)cc1S(=O)(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O5S/c1-16-8-13-20(28-2)21(14-16)30(26,27)24-23-15-17-9-11-19(12-10-17)29-22(25)18-6-4-3-5-7-18/h3-15,24H,1-2H3/b23-15+
InChIKeyDCWPDKYVFGPUDC-HZHRSRAPSA-N
XLogP3.54
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5439954
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate
CID 6164119
[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 6872737
[5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 5430747
[4-[[(2,5-dimethylphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl] pyridine-3-carboxylate
CID 2643303
[4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3505504
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110517954
2-methoxy-N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-5-methylbenzenesulfonamide
CID 110518061
[4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate
CID 110517864
N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516627
[4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 4606656
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 17381305

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate (CID 110518046) is [4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate is COc1ccc(C)cc1S(=O)(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is DCWPDKYVFGPUDC-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-16-8-13-20(28-2)21(14-16)30(26,27)24-23-15-17-9-11-19(12-10-17)29-22(25)18-6-4-3-5-7-18/h3-15,24H,1-2H3/b23-15+.
What are the key properties of [4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate?
[4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 424.48 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-[(2-methoxy-5-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 110518046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).