[4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate

C19H22N2O8S — CID 17310876

IUPAC[4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2cc(OC)c(OC(C)=O)c(OC)c2)c(OC)c1
InChIInChI=1S/C19H22N2O8S/c1-12(22)29-19-16(27-4)8-13(9-17(19)28-5)11-20-21-30(23,24)18-7-6-14(25-2)10-15(18)26-3/h6-11,21H,1-5H3/b20-11+
InChIKeyFJDVUPHUQMXTDE-RGVLZGJSSA-N
MW438.46 g/mol
LogP1.96
Rot. Bonds9

About [4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate

[4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate (PubChem CID 17310876) has the molecular formula C19H22N2O8S and a molecular weight of 438.46 g/mol. Its IUPAC name is [4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
PubChem CID17310876
Molecular FormulaC19H22N2O8S
Molecular Weight438.46 g/mol
Exact Mass438.11
IUPAC Name[4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2cc(OC)c(OC(C)=O)c(OC)c2)c(OC)c1
InChIInChI=1S/C19H22N2O8S/c1-12(22)29-19-16(27-4)8-13(9-17(19)28-5)11-20-21-30(23,24)18-7-6-14(25-2)10-15(18)26-3/h6-11,21H,1-5H3/b20-11+
InChIKeyFJDVUPHUQMXTDE-RGVLZGJSSA-N
XLogP1.96
TPSA121.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide
CID 25237237
[4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 17310903
[2,6-dimethoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenyl] acetate
CID 9059590
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 17381305
[4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate
CID 110517864
2,4-dimethoxy-N-[(E)-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 17310896
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517070
N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516627
[2,6-dimethoxy-4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]phenyl] acetate
CID 9014792
2,5-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 27524457
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516571

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate?
The IUPAC name of [4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate (CID 17310876) is [4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate.
What is the SMILES notation for [4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate?
The canonical SMILES for [4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate is COc1ccc(S(=O)(=O)N/N=C/c2cc(OC)c(OC(C)=O)c(OC)c2)c(OC)c1.
What is the InChIKey of [4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate?
The InChIKey is FJDVUPHUQMXTDE-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H22N2O8S/c1-12(22)29-19-16(27-4)8-13(9-17(19)28-5)11-20-21-30(23,24)18-7-6-14(25-2)10-15(18)26-3/h6-11,21H,1-5H3/b20-11+.
What are the key properties of [4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate?
[4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate has a molecular weight of 438.46 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate is sourced from PubChem (CID 17310876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).