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

C22H20N2O6S — CID 4017016

IUPAC[4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate
SMILESCOc1cc(C=NNS(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccccc1OC
InChIInChI=1S/C22H20N2O6S/c1-28-19-11-7-6-10-18(19)22(25)30-20-13-12-16(14-21(20)29-2)15-23-24-31(26,27)17-8-4-3-5-9-17/h3-15,24H,1-2H3
InChIKeyWNNVKGKEWLIGQU-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.24
Rot. Bonds8

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

[4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate (PubChem CID 4017016) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is [4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate
PubChem CID4017016
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Name[4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate
SMILESCOc1cc(C=NNS(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccccc1OC
InChIInChI=1S/C22H20N2O6S/c1-28-19-11-7-6-10-18(19)22(25)30-20-13-12-16(14-21(20)29-2)15-23-24-31(26,27)17-8-4-3-5-9-17/h3-15,24H,1-2H3
InChIKeyWNNVKGKEWLIGQU-UHFFFAOYSA-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

[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 6908577
[4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 2692698
[5-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 6872737
[5-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 5430747
[2-methoxy-4-[[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]phenyl] N-phenylcarbamate
CID 1373230
[2-methoxy-4-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 3-fluorobenzoate
CID 2171015
[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 3932542
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509660
[4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 6008417
[2-methoxy-4-[[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3696293
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 4292329
[4-[[[2-(2,6-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 4110077

Frequently Asked Questions

What is the IUPAC name of [4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate?
The IUPAC name of [4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate (CID 4017016) is [4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate.
What is the SMILES notation for [4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate?
The canonical SMILES for [4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate is COc1cc(C=NNS(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccccc1OC.
What is the InChIKey of [4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate?
The InChIKey is WNNVKGKEWLIGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-28-19-11-7-6-10-18(19)22(25)30-20-13-12-16(14-21(20)29-2)15-23-24-31(26,27)17-8-4-3-5-9-17/h3-15,24H,1-2H3.
What are the key properties of [4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate?
[4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-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 [4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate is sourced from PubChem (CID 4017016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).