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

C22H20N2O6S — CID 5430747

IUPAC[5-[(Z)-(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-HAHDFKILSA-N
MW440.48 g/mol
LogP3.24
Rot. Bonds8

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

[5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate (PubChem CID 5430747) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is [5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
PubChem CID5430747
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name[5-[(Z)-(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-HAHDFKILSA-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'}

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Related Compounds

[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 6872737
[4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 4017016
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate
CID 6114211
[2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate
CID 1373230
[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 6908577
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate
CID 6164119
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5439954
[4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 2692698
[1-[(benzenesulfonylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 3330292
[4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 17310903
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 3457911
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135795952

Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
The IUPAC name of [5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate (CID 5430747) is [5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate.
What is the SMILES notation for [5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
The canonical SMILES for [5-[(Z)-(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-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
The InChIKey is JLJMRIUAMGDROC-HAHDFKILSA-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-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
[5-[(Z)-(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-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate is sourced from PubChem (CID 5430747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).