sodium;hydride;quinoline-6-sulfonic acid

C9H8NNaO3S — CID 173122364

IUPACsodium;hydride;quinoline-6-sulfonic acid
SMILESO=S(=O)(O)c1ccc2ncccc2c1.[H-].[Na+]
InChIInChI=1S/C9H7NO3S.Na.H/c11-14(12,13)8-3-4-9-7(6-8)2-1-5-10-9;;/h1-6H,(H,11,12,13);;/q;+1;-1
InChIKeyVISFVFSQRDQWNE-UHFFFAOYSA-N
MW233.22 g/mol
LogP-1.40
Rot. Bonds1

About sodium;hydride;quinoline-6-sulfonic acid

sodium;hydride;quinoline-6-sulfonic acid (PubChem CID 173122364) has the molecular formula C9H8NNaO3S and a molecular weight of 233.22 g/mol. Its IUPAC name is sodium;hydride;quinoline-6-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;quinoline-6-sulfonic acid
PubChem CID173122364
Molecular FormulaC9H8NNaO3S
Molecular Weight233.22 g/mol
Exact Mass233.01
IUPAC Namesodium;hydride;quinoline-6-sulfonic acid
SMILESO=S(=O)(O)c1ccc2ncccc2c1.[H-].[Na+]
InChIInChI=1S/C9H7NO3S.Na.H/c11-14(12,13)8-3-4-9-7(6-8)2-1-5-10-9;;/h1-6H,(H,11,12,13);;/q;+1;-1
InChIKeyVISFVFSQRDQWNE-UHFFFAOYSA-N
XLogP-1.40
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

quinoline-6-sulfonamide
CID 23273907
ethane;6-methylsulfonylquinoline
CID 156875641
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
copper;quinoline;sulfuric acid
CID 174956434
naphthalene-2-sulfonic acid
CID 8420
6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline
CID 167907378
naphthalene-2-sulfonic acid;zinc
CID 87263273
tetracene-2-sulfonic acid
CID 21483873
CID 87246277
CID 87246277
CID 88530425
CID 88530425
ethane;quinoline-6-carboxylic acid
CID 91364452

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;quinoline-6-sulfonic acid?
The IUPAC name of sodium;hydride;quinoline-6-sulfonic acid (CID 173122364) is sodium;hydride;quinoline-6-sulfonic acid.
What is the SMILES notation for sodium;hydride;quinoline-6-sulfonic acid?
The canonical SMILES for sodium;hydride;quinoline-6-sulfonic acid is O=S(=O)(O)c1ccc2ncccc2c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;quinoline-6-sulfonic acid?
The InChIKey is VISFVFSQRDQWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S.Na.H/c11-14(12,13)8-3-4-9-7(6-8)2-1-5-10-9;;/h1-6H,(H,11,12,13);;/q;+1;-1.
What are the key properties of sodium;hydride;quinoline-6-sulfonic acid?
sodium;hydride;quinoline-6-sulfonic acid has a molecular weight of 233.22 g/mol, XLogP of -1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;quinoline-6-sulfonic acid is sourced from PubChem (CID 173122364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).