[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate

C25H26N2O6S — CID 6114211

IUPAC[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)Oc2ccc(/C=N\NS(=O)(=O)c3ccccc3)cc2OCC)cc1
InChIInChI=1S/C25H26N2O6S/c1-3-16-32-21-13-11-20(12-14-21)25(28)33-23-15-10-19(17-24(23)31-4-2)18-26-27-34(29,30)22-8-6-5-7-9-22/h5-15,17-18,27H,3-4,16H2,1-2H3/b26-18-
InChIKeyKRIYJBWHCPWTTO-ITYLOYPMSA-N
MW482.56 g/mol
LogP4.41
Rot. Bonds11

About [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate

[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate (PubChem CID 6114211) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate
PubChem CID6114211
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Name[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)Oc2ccc(/C=N\NS(=O)(=O)c3ccccc3)cc2OCC)cc1
InChIInChI=1S/C25H26N2O6S/c1-3-16-32-21-13-11-20(12-14-21)25(28)33-23-15-10-19(17-24(23)31-4-2)18-26-27-34(29,30)22-8-6-5-7-9-22/h5-15,17-18,27H,3-4,16H2,1-2H3/b26-18-
InChIKeyKRIYJBWHCPWTTO-ITYLOYPMSA-N
XLogP4.41
TPSA103.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.41
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

[2-ethoxy-4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 4089635
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 3457911
[2-ethoxy-4-[(Z)-[(4-propoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6114040
[2-ethoxy-4-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 3320878
[4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-propoxybenzoate
CID 3725894
[5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 5430747
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509660
[2-ethoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 4601416
[2-ethoxy-4-[(Z)-[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6092330
[2-ethoxy-4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 3628557
[4-[(E)-[(2,4-dimethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 17310903
[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 6872737

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate?
The IUPAC name of [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate (CID 6114211) is [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate.
What is the SMILES notation for [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate?
The canonical SMILES for [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate is CCCOc1ccc(C(=O)Oc2ccc(/C=N\NS(=O)(=O)c3ccccc3)cc2OCC)cc1.
What is the InChIKey of [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate?
The InChIKey is KRIYJBWHCPWTTO-ITYLOYPMSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-3-16-32-21-13-11-20(12-14-21)25(28)33-23-15-10-19(17-24(23)31-4-2)18-26-27-34(29,30)22-8-6-5-7-9-22/h5-15,17-18,27H,3-4,16H2,1-2H3/b26-18-.
What are the key properties of [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate?
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate has a molecular weight of 482.56 g/mol, XLogP of 4.41, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-propoxybenzoate is sourced from PubChem (CID 6114211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).