3-formylnaphthalene-1-sulfonic acid

C11H8O4S — CID 90262383

IUPAC3-formylnaphthalene-1-sulfonic acid
SMILESO=Cc1cc(S(=O)(=O)O)c2ccccc2c1
InChIInChI=1S/C11H8O4S/c12-7-8-5-9-3-1-2-4-10(9)11(6-8)16(13,14)15/h1-7H,(H,13,14,15)
InChIKeyOBWZUHJCEYALDN-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.90
Rot. Bonds2

About 3-formylnaphthalene-1-sulfonic acid

3-formylnaphthalene-1-sulfonic acid (PubChem CID 90262383) has the molecular formula C11H8O4S and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-formylnaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name3-formylnaphthalene-1-sulfonic acid
PubChem CID90262383
Molecular FormulaC11H8O4S
Molecular Weight236.25 g/mol
Exact Mass236.01
IUPAC Name3-formylnaphthalene-1-sulfonic acid
SMILESO=Cc1cc(S(=O)(=O)O)c2ccccc2c1
InChIInChI=1S/C11H8O4S/c12-7-8-5-9-3-1-2-4-10(9)11(6-8)16(13,14)15/h1-7H,(H,13,14,15)
InChIKeyOBWZUHJCEYALDN-UHFFFAOYSA-N
XLogP1.90
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxynaphthalene-2-carbaldehyde
CID 22498210
naphthalene-1-sulfonic acid
CID 158712346
azane;1-formylnaphthalene-2-sulfonic acid
CID 173322674
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
CID 87599032
CID 87599032
methanamine;naphthalene-1-sulfonic acid
CID 174421353
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
azane;tricyclo[4.4.0.02,9]deca-1(10),2,4,6,8-pentaene-8-sulfonic acid
CID 174609443
naphthalene-1-sulfonic acid;propan-2-one
CID 159625116

Frequently Asked Questions

What is the IUPAC name of 3-formylnaphthalene-1-sulfonic acid?
The IUPAC name of 3-formylnaphthalene-1-sulfonic acid (CID 90262383) is 3-formylnaphthalene-1-sulfonic acid.
What is the SMILES notation for 3-formylnaphthalene-1-sulfonic acid?
The canonical SMILES for 3-formylnaphthalene-1-sulfonic acid is O=Cc1cc(S(=O)(=O)O)c2ccccc2c1.
What is the InChIKey of 3-formylnaphthalene-1-sulfonic acid?
The InChIKey is OBWZUHJCEYALDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4S/c12-7-8-5-9-3-1-2-4-10(9)11(6-8)16(13,14)15/h1-7H,(H,13,14,15).
What are the key properties of 3-formylnaphthalene-1-sulfonic acid?
3-formylnaphthalene-1-sulfonic acid has a molecular weight of 236.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formylnaphthalene-1-sulfonic acid is sourced from PubChem (CID 90262383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).