potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate

C15H15KN2O5S — CID 135458846

IUPACpotassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate
SMILESCCOc1cc(/C=N/Nc2ccc(S(=O)(=O)[O-])cc2)ccc1O.[K+]
InChIInChI=1S/C15H16N2O5S.K/c1-2-22-15-9-11(3-8-14(15)18)10-16-17-12-4-6-13(7-5-12)23(19,20)21;/h3-10,17-18H,2H2,1H3,(H,19,20,21);/q;+1/p-1/b16-10+;
InChIKeyDACZYKAEKLSASZ-QFHYWFJHSA-M
MW374.46 g/mol
LogP-0.86
Rot. Bonds6

About potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate

potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate (PubChem CID 135458846) has the molecular formula C15H15KN2O5S and a molecular weight of 374.46 g/mol. Its IUPAC name is potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate.

Molecular Properties

Compound Namepotassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate
PubChem CID135458846
Molecular FormulaC15H15KN2O5S
Molecular Weight374.46 g/mol
Exact Mass374.03
IUPAC Namepotassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate
SMILESCCOc1cc(/C=N/Nc2ccc(S(=O)(=O)[O-])cc2)ccc1O.[K+]
InChIInChI=1S/C15H16N2O5S.K/c1-2-22-15-9-11(3-8-14(15)18)10-16-17-12-4-6-13(7-5-12)23(19,20)21;/h3-10,17-18H,2H2,1H3,(H,19,20,21);/q;+1/p-1/b16-10+;
InChIKeyDACZYKAEKLSASZ-QFHYWFJHSA-M
XLogP-0.86
TPSA111.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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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Related Compounds

4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135675775
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-fluorobenzenesulfonamide
CID 136873420
2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 5098428
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135738480
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135676115
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135576630
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 3407751
2-ethoxy-4-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 4012909
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
CID 135555015
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
2-ethoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 136704774

Frequently Asked Questions

What is the IUPAC name of potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate?
The IUPAC name of potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate (CID 135458846) is potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate.
What is the SMILES notation for potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate?
The canonical SMILES for potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate is CCOc1cc(/C=N/Nc2ccc(S(=O)(=O)[O-])cc2)ccc1O.[K+].
What is the InChIKey of potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate?
The InChIKey is DACZYKAEKLSASZ-QFHYWFJHSA-M. The full InChI is InChI=1S/C15H16N2O5S.K/c1-2-22-15-9-11(3-8-14(15)18)10-16-17-12-4-6-13(7-5-12)23(19,20)21;/h3-10,17-18H,2H2,1H3,(H,19,20,21);/q;+1/p-1/b16-10+;.
What are the key properties of potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate?
potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate has a molecular weight of 374.46 g/mol, XLogP of -0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate is sourced from PubChem (CID 135458846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).