sodium;hydride;6-methylnaphthalene-2-sulfonic acid

C11H11NaO3S — CID 173399427

IUPACsodium;hydride;6-methylnaphthalene-2-sulfonic acid
SMILESCc1ccc2cc(S(=O)(=O)O)ccc2c1.[H-].[Na+]
InChIInChI=1S/C11H10O3S.Na.H/c1-8-2-3-10-7-11(15(12,13)14)5-4-9(10)6-8;;/h2-7H,1H3,(H,12,13,14);;/q;+1;-1
InChIKeyHUFJGVVGAKYGAF-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.49
Rot. Bonds1

About sodium;hydride;6-methylnaphthalene-2-sulfonic acid

sodium;hydride;6-methylnaphthalene-2-sulfonic acid (PubChem CID 173399427) has the molecular formula C11H11NaO3S and a molecular weight of 246.26 g/mol. Its IUPAC name is sodium;hydride;6-methylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;6-methylnaphthalene-2-sulfonic acid
PubChem CID173399427
Molecular FormulaC11H11NaO3S
Molecular Weight246.26 g/mol
Exact Mass246.03
IUPAC Namesodium;hydride;6-methylnaphthalene-2-sulfonic acid
SMILESCc1ccc2cc(S(=O)(=O)O)ccc2c1.[H-].[Na+]
InChIInChI=1S/C11H10O3S.Na.H/c1-8-2-3-10-7-11(15(12,13)14)5-4-9(10)6-8;;/h2-7H,1H3,(H,12,13,14);;/q;+1;-1
InChIKeyHUFJGVVGAKYGAF-UHFFFAOYSA-N
XLogP-0.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
CID 173012755
6-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonic acid
CID 22352895
naphthalene-2-sulfonic acid
CID 8420
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
sodium;3,7-dimethylnaphthalene-1-sulfonic acid;hydride
CID 173399214
4-methylbenzenesulfonic acid
CID 157221593
naphthalene-2-sulfonic acid;zinc
CID 87263273
naphthalene-2,3,6-trisulfonic acid
CID 42609669
tetracene-2-sulfonic acid
CID 21483873
CID 88530425
CID 88530425
CID 87246277
CID 87246277

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;6-methylnaphthalene-2-sulfonic acid?
The IUPAC name of sodium;hydride;6-methylnaphthalene-2-sulfonic acid (CID 173399427) is sodium;hydride;6-methylnaphthalene-2-sulfonic acid.
What is the SMILES notation for sodium;hydride;6-methylnaphthalene-2-sulfonic acid?
The canonical SMILES for sodium;hydride;6-methylnaphthalene-2-sulfonic acid is Cc1ccc2cc(S(=O)(=O)O)ccc2c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;6-methylnaphthalene-2-sulfonic acid?
The InChIKey is HUFJGVVGAKYGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S.Na.H/c1-8-2-3-10-7-11(15(12,13)14)5-4-9(10)6-8;;/h2-7H,1H3,(H,12,13,14);;/q;+1;-1.
What are the key properties of sodium;hydride;6-methylnaphthalene-2-sulfonic acid?
sodium;hydride;6-methylnaphthalene-2-sulfonic acid has a molecular weight of 246.26 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;6-methylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 173399427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).