1-formylnaphthalene-2-sulfonic acid

C11H8O4S — CID 21259649

IUPAC1-formylnaphthalene-2-sulfonic acid
SMILESO=Cc1c(S(=O)(=O)O)ccc2ccccc12
InChIInChI=1S/C11H8O4S/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)16(13,14)15/h1-7H,(H,13,14,15)
InChIKeyKEFWFBWCQZCKRD-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.90
Rot. Bonds2

About 1-formylnaphthalene-2-sulfonic acid

1-formylnaphthalene-2-sulfonic acid (PubChem CID 21259649) has the molecular formula C11H8O4S and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-formylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name1-formylnaphthalene-2-sulfonic acid
PubChem CID21259649
Molecular FormulaC11H8O4S
Molecular Weight236.25 g/mol
Exact Mass236.01
IUPAC Name1-formylnaphthalene-2-sulfonic acid
SMILESO=Cc1c(S(=O)(=O)O)ccc2ccccc12
InChIInChI=1S/C11H8O4S/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)16(13,14)15/h1-7H,(H,13,14,15)
InChIKeyKEFWFBWCQZCKRD-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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Frequently Asked Questions

What is the IUPAC name of 1-formylnaphthalene-2-sulfonic acid?
The IUPAC name of 1-formylnaphthalene-2-sulfonic acid (CID 21259649) is 1-formylnaphthalene-2-sulfonic acid.
What is the SMILES notation for 1-formylnaphthalene-2-sulfonic acid?
The canonical SMILES for 1-formylnaphthalene-2-sulfonic acid is O=Cc1c(S(=O)(=O)O)ccc2ccccc12.
What is the InChIKey of 1-formylnaphthalene-2-sulfonic acid?
The InChIKey is KEFWFBWCQZCKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4S/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)16(13,14)15/h1-7H,(H,13,14,15).
What are the key properties of 1-formylnaphthalene-2-sulfonic acid?
1-formylnaphthalene-2-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 1-formylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 21259649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).