[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate

C22H20N2O6S — CID 6872652

IUPAC[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cc(/C=N/NS(=O)(=O)c3ccccc3)ccc2OC)cc1
InChIInChI=1S/C22H20N2O6S/c1-28-18-11-9-17(10-12-18)22(25)30-21-14-16(8-13-20(21)29-2)15-23-24-31(26,27)19-6-4-3-5-7-19/h3-15,24H,1-2H3/b23-15+
InChIKeyJLJMRIUAMGDROC-HZHRSRAPSA-N
MW440.48 g/mol
LogP3.24
Rot. Bonds8

About [5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate

[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate (PubChem CID 6872652) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is [5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
PubChem CID6872652
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cc(/C=N/NS(=O)(=O)c3ccccc3)ccc2OC)cc1
InChIInChI=1S/C22H20N2O6S/c1-28-18-11-9-17(10-12-18)22(25)30-21-14-16(8-13-20(21)29-2)15-23-24-31(26,27)19-6-4-3-5-7-19/h3-15,24H,1-2H3/b23-15+
InChIKeyJLJMRIUAMGDROC-HZHRSRAPSA-N
XLogP3.24
TPSA103.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 [5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate 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

2-methoxy-5-{(E)-[2-(phenylsulfonyl)hydrazinylidene]methyl}phenyl benzoate
CID 9664315
Methyl 4-({2-[2-(phenylsulfonyl)carbonohydrazonoyl]phenoxy}methyl)benzoate
CID 5343639
3-[(2-Methoxy-4-{2-[(4-methylphenyl)sulfonyl]carbonohydrazonoyl}phenoxy)methyl]benzoic acid
CID 5350421
4-{[2-methoxy-4-((E)-{[(4-methylphenyl)sulfonyl]hydrazono}methyl)phenoxy]methyl}benzoic acid
CID 16471779
2-Methoxy-5-{2-[(4-methylphenyl)sulfonyl]carbohydrazonoyl}phenyl 4-methoxybenzoate
CID 6872532
2-Methoxy-5-{2-[(4-methylphenyl)sulfonyl]carbohydrazonoyl}phenyl benzoate
CID 6872715
[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 6872737
[2-methoxy-5-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6872874
5-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl 4-methoxybenzoate
CID 9617644
4-Bromo-2-(2-(phenylsulfonyl)carbohydrazonoyl)phenyl 4-methoxybenzoate
CID 6872838
Methyl 4-[(2-{2-[(4-methylphenyl)sulfonyl]carbonohydrazonoyl}phenoxy)methyl]benzoate
CID 6898403
(E)-5-[1-(4-cetyloxy-3-methoxyphenyl)-1-phenylmethylene]-sulfohydrazono isophthalic acid
CID 16105530

Frequently Asked Questions

What is the IUPAC name of [5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
The IUPAC name of [5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate (CID 6872652) is [5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate.
What is the SMILES notation for [5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
The canonical SMILES for [5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2cc(/C=N/NS(=O)(=O)c3ccccc3)ccc2OC)cc1.
What is the InChIKey of [5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
The InChIKey is JLJMRIUAMGDROC-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-28-18-11-9-17(10-12-18)22(25)30-21-14-16(8-13-20(21)29-2)15-23-24-31(26,27)19-6-4-3-5-7-19/h3-15,24H,1-2H3/b23-15+.
What are the key properties of [5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate has a molecular weight of 440.48 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate is sourced from PubChem (CID 6872652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).