sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid

C12H11N2NaO4S — CID 174574103

IUPACsodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(O)c(/C=N/c2ccncc2)c1.[H-].[Na+]
InChIInChI=1S/C12H10N2O4S.Na.H/c15-12-2-1-11(19(16,17)18)7-9(12)8-14-10-3-5-13-6-4-10;;/h1-8,15H,(H,16,17,18);;/q;+1;-1/b14-8+;;
InChIKeyFBVLXEZCLJNYDJ-JPMXUBAOSA-N
MW302.29 g/mol
LogP-1.10
Rot. Bonds3

About sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid

sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid (PubChem CID 174574103) has the molecular formula C12H11N2NaO4S and a molecular weight of 302.29 g/mol. Its IUPAC name is sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid.

Molecular Properties

Compound Namesodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid
PubChem CID174574103
Molecular FormulaC12H11N2NaO4S
Molecular Weight302.29 g/mol
Exact Mass302.03
IUPAC Namesodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(O)c(/C=N/c2ccncc2)c1.[H-].[Na+]
InChIInChI=1S/C12H10N2O4S.Na.H/c15-12-2-1-11(19(16,17)18)7-9(12)8-14-10-3-5-13-6-4-10;;/h1-8,15H,(H,16,17,18);;/q;+1;-1/b14-8+;;
InChIKeyFBVLXEZCLJNYDJ-JPMXUBAOSA-N
XLogP-1.10
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
CID 4779411
CID 87885081
CID 87885081
3-(benzyliminomethyl)-4-hydroxybenzenesulfonic acid
CID 139241232
sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate
CID 122207686
cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate)
CID 6711571
2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol
CID 142621660
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 3878914
disodium;hydride;2-hydroxy-5-sulfobenzoic acid
CID 173215805
3-hydroxy-4-[2-[(2-hydroxy-4-sulfophenyl)methylideneamino]ethyliminomethyl]benzenesulfonic acid
CID 135800105
(NE)-N-[(2-hydroxyphenyl)methylidene]-4-[(2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135473169
CID 137190326
CID 137190326
2-[(2-hydroxy-5-sulfophenyl)methylideneamino]-3-phenylpropanoic acid
CID 136719290

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid?
The IUPAC name of sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid (CID 174574103) is sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid.
What is the SMILES notation for sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid?
The canonical SMILES for sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid is O=S(=O)(O)c1ccc(O)c(/C=N/c2ccncc2)c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid?
The InChIKey is FBVLXEZCLJNYDJ-JPMXUBAOSA-N. The full InChI is InChI=1S/C12H10N2O4S.Na.H/c15-12-2-1-11(19(16,17)18)7-9(12)8-14-10-3-5-13-6-4-10;;/h1-8,15H,(H,16,17,18);;/q;+1;-1/b14-8+;;.
What are the key properties of sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid?
sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid has a molecular weight of 302.29 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-hydroxy-3-(pyridin-4-yliminomethyl)benzenesulfonic acid is sourced from PubChem (CID 174574103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).