potassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate

C14H13KN2O5S — CID 135458850

IUPACpotassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate
SMILESCOc1cccc(/C=N/Nc2ccc(S(=O)(=O)[O-])cc2)c1O.[K+]
InChIInChI=1S/C14H14N2O5S.K/c1-21-13-4-2-3-10(14(13)17)9-15-16-11-5-7-12(8-6-11)22(18,19)20;/h2-9,16-17H,1H3,(H,18,19,20);/q;+1/p-1/b15-9+;
InChIKeyBNRKTEYDGRQYNH-NSPIFIKESA-M
MW360.43 g/mol
LogP-1.25
Rot. Bonds5

About potassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate

potassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate (PubChem CID 135458850) has the molecular formula C14H13KN2O5S and a molecular weight of 360.43 g/mol. Its IUPAC name is potassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate.

Molecular Properties

Compound Namepotassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate
PubChem CID135458850
Molecular FormulaC14H13KN2O5S
Molecular Weight360.43 g/mol
Exact Mass360.02
IUPAC Namepotassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate
SMILESCOc1cccc(/C=N/Nc2ccc(S(=O)(=O)[O-])cc2)c1O.[K+]
InChIInChI=1S/C14H14N2O5S.K/c1-21-13-4-2-3-10(14(13)17)9-15-16-11-5-7-12(8-6-11)22(18,19)20;/h2-9,16-17H,1H3,(H,18,19,20);/q;+1/p-1/b15-9+;
InChIKeyBNRKTEYDGRQYNH-NSPIFIKESA-M
XLogP-1.25
TPSA111.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate?
The IUPAC name of potassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate (CID 135458850) is potassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate.
What is the SMILES notation for potassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate?
The canonical SMILES for potassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate is COc1cccc(/C=N/Nc2ccc(S(=O)(=O)[O-])cc2)c1O.[K+].
What is the InChIKey of potassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate?
The InChIKey is BNRKTEYDGRQYNH-NSPIFIKESA-M. The full InChI is InChI=1S/C14H14N2O5S.K/c1-21-13-4-2-3-10(14(13)17)9-15-16-11-5-7-12(8-6-11)22(18,19)20;/h2-9,16-17H,1H3,(H,18,19,20);/q;+1/p-1/b15-9+;.
What are the key properties of potassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate?
potassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate has a molecular weight of 360.43 g/mol, XLogP of -1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonate is sourced from PubChem (CID 135458850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).