sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid

C12H11NaO4S — CID 173457046

IUPACsodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(-c2ccc(O)cc2)cc1.[H-].[Na+]
InChIInChI=1S/C12H10O4S.Na.H/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16;;/h1-8,13H,(H,14,15,16);;/q;+1;-1
InChIKeyGAXPSXSZEQMZBS-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.58
Rot. Bonds2

About sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid

sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid (PubChem CID 173457046) has the molecular formula C12H11NaO4S and a molecular weight of 274.27 g/mol. Its IUPAC name is sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid.

Molecular Properties

Compound Namesodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid
PubChem CID173457046
Molecular FormulaC12H11NaO4S
Molecular Weight274.27 g/mol
Exact Mass274.03
IUPAC Namesodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccc(-c2ccc(O)cc2)cc1.[H-].[Na+]
InChIInChI=1S/C12H10O4S.Na.H/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16;;/h1-8,13H,(H,14,15,16);;/q;+1;-1
InChIKeyGAXPSXSZEQMZBS-UHFFFAOYSA-N
XLogP-0.58
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium 4-(4-sulfophenyl)benzenesulfonic acid
CID 3084525
CID 131880553
CID 131880553
bis(4-hydroxybenzenesulfonic acid);zinc
CID 87093741
4-(4-sulfophenyl)benzenesulfonic acid;dihydrochloride
CID 88734804
formaldehyde;4-hydroxybenzenesulfonic acid;4-(4-hydroxyphenyl)sulfonylphenol
CID 170852655
calcium;hydride;4-phenylbenzenesulfonic acid
CID 173436873
4-(4-sulfophenyl)benzenesulfonic acid;urea
CID 158180603
4-hydroxybenzenesulfonic acid;4-hydroxybenzoic acid
CID 159433039
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
CID 173012755
2-hydroxy-4-(4-sulfophenyl)benzenesulfonic acid
CID 57074202
4-hydroxybenzenesulfonic acid;lead(2+);4-oxidobenzenesulfonate
CID 101301315
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid?
The IUPAC name of sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid (CID 173457046) is sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid.
What is the SMILES notation for sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid?
The canonical SMILES for sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid is O=S(=O)(O)c1ccc(-c2ccc(O)cc2)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid?
The InChIKey is GAXPSXSZEQMZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S.Na.H/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16;;/h1-8,13H,(H,14,15,16);;/q;+1;-1.
What are the key properties of sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid?
sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid has a molecular weight of 274.27 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-(4-hydroxyphenyl)benzenesulfonic acid is sourced from PubChem (CID 173457046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).