[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate

C21H18N2O6S — CID 6255411

IUPAC[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18N2O6S/c1-28-20-13-15(14-22-23-21(25)17-9-5-6-10-18(17)24)11-12-19(20)29-30(26,27)16-7-3-2-4-8-16/h2-14,24H,1H3,(H,23,25)/b22-14-
InChIKeyTVMUCICGKDIGAL-HMAPJEAMSA-N
MW426.45 g/mol
LogP2.93
Rot. Bonds7

About [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate

[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate (PubChem CID 6255411) has the molecular formula C21H18N2O6S and a molecular weight of 426.45 g/mol. Its IUPAC name is [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate.

Molecular Properties

Compound Name[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate
PubChem CID6255411
Molecular FormulaC21H18N2O6S
Molecular Weight426.45 g/mol
Exact Mass426.09
IUPAC Name[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18N2O6S/c1-28-20-13-15(14-22-23-21(25)17-9-5-6-10-18(17)24)11-12-19(20)29-30(26,27)16-7-3-2-4-8-16/h2-14,24H,1H3,(H,23,25)/b22-14-
InChIKeyTVMUCICGKDIGAL-HMAPJEAMSA-N
XLogP2.93
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
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': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[5-[(E)-(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] benzenesulfonate
CID 6872865
[4-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
CID 3738570
[2-methoxy-4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzenesulfonate
CID 3630214
[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate
CID 126330575
2-hydroxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6291203
[4-[(E)-[(3-ethoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate
CID 126331585
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813
[4-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 5236824
5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 5057069
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 2643124
2,5-dihydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 17126913

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate?
The IUPAC name of [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate (CID 6255411) is [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate.
What is the SMILES notation for [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate?
The canonical SMILES for [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate is COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OS(=O)(=O)c1ccccc1.
What is the InChIKey of [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate?
The InChIKey is TVMUCICGKDIGAL-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H18N2O6S/c1-28-20-13-15(14-22-23-21(25)17-9-5-6-10-18(17)24)11-12-19(20)29-30(26,27)16-7-3-2-4-8-16/h2-14,24H,1H3,(H,23,25)/b22-14-.
What are the key properties of [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate?
[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate has a molecular weight of 426.45 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate is sourced from PubChem (CID 6255411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).