sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid

C12H11NaO7S2 — CID 175093945

IUPACsodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1Oc1ccccc1S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C12H10O7S2.Na.H/c13-20(14,15)11-7-3-1-5-9(11)19-10-6-2-4-8-12(10)21(16,17)18;;/h1-8H,(H,13,14,15)(H,16,17,18);;/q;+1;-1
InChIKeyAGLNMZAPRFEDDH-UHFFFAOYSA-N
MW354.34 g/mol
LogP-0.91
Rot. Bonds4

About sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid

sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid (PubChem CID 175093945) has the molecular formula C12H11NaO7S2 and a molecular weight of 354.34 g/mol. Its IUPAC name is sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid.

Molecular Properties

Compound Namesodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid
PubChem CID175093945
Molecular FormulaC12H11NaO7S2
Molecular Weight354.34 g/mol
Exact Mass353.98
IUPAC Namesodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1Oc1ccccc1S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C12H10O7S2.Na.H/c13-20(14,15)11-7-3-1-5-9(11)19-10-6-2-4-8-12(10)21(16,17)18;;/h1-8H,(H,13,14,15)(H,16,17,18);;/q;+1;-1
InChIKeyAGLNMZAPRFEDDH-UHFFFAOYSA-N
XLogP-0.91
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;2-phenoxybenzenesulfonic acid
CID 173031156
potassium;2-formyloxybenzenesulfonic acid;hydride
CID 174717304
2-(2-prop-2-enoxysulfonylphenoxy)benzenesulfonic acid
CID 88714985
2-methylsulfonyloxybenzenesulfonic acid
CID 14317974
2-carboxyoxybenzenesulfonic acid
CID 18950115
2-(2-bromopropan-2-yloxy)benzenesulfonic acid;hydrochloride
CID 174951695
2-decyl-3-(2-sulfophenoxy)benzenesulfonic acid
CID 20849309
2-[2-(12-chlorododecyl)phenoxy]benzenesulfonic acid
CID 56843189
2-ethoxybenzenesulfonic acid;hydrochloride
CID 174785322
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)benzenesulfonic acid
CID 15936168
trisodium;hydride;2-phosphanylbenzenesulfonic acid
CID 173271580
2-butoxybenzenesulfonic acid
CID 22564598

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid?
The IUPAC name of sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid (CID 175093945) is sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid.
What is the SMILES notation for sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid?
The canonical SMILES for sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid is O=S(=O)(O)c1ccccc1Oc1ccccc1S(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid?
The InChIKey is AGLNMZAPRFEDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O7S2.Na.H/c13-20(14,15)11-7-3-1-5-9(11)19-10-6-2-4-8-12(10)21(16,17)18;;/h1-8H,(H,13,14,15)(H,16,17,18);;/q;+1;-1.
What are the key properties of sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid?
sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid has a molecular weight of 354.34 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid is sourced from PubChem (CID 175093945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).