azane;1-formylnaphthalene-2-sulfonic acid

C11H11NO4S — CID 173322674

IUPACazane;1-formylnaphthalene-2-sulfonic acid
SMILESN.O=Cc1c(S(=O)(=O)O)ccc2ccccc12
InChIInChI=1S/C11H8O4S.H3N/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)16(13,14)15;/h1-7H,(H,13,14,15);1H3
InChIKeyLOVPKWQNGKAGJY-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.06
Rot. Bonds2

About azane;1-formylnaphthalene-2-sulfonic acid

azane;1-formylnaphthalene-2-sulfonic acid (PubChem CID 173322674) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is azane;1-formylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Nameazane;1-formylnaphthalene-2-sulfonic acid
PubChem CID173322674
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Nameazane;1-formylnaphthalene-2-sulfonic acid
SMILESN.O=Cc1c(S(=O)(=O)O)ccc2ccccc12
InChIInChI=1S/C11H8O4S.H3N/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)16(13,14)15;/h1-7H,(H,13,14,15);1H3
InChIKeyLOVPKWQNGKAGJY-UHFFFAOYSA-N
XLogP2.06
TPSA106.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 azane;1-formylnaphthalene-2-sulfonic acid?
The IUPAC name of azane;1-formylnaphthalene-2-sulfonic acid (CID 173322674) is azane;1-formylnaphthalene-2-sulfonic acid.
What is the SMILES notation for azane;1-formylnaphthalene-2-sulfonic acid?
The canonical SMILES for azane;1-formylnaphthalene-2-sulfonic acid is N.O=Cc1c(S(=O)(=O)O)ccc2ccccc12.
What is the InChIKey of azane;1-formylnaphthalene-2-sulfonic acid?
The InChIKey is LOVPKWQNGKAGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O4S.H3N/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)16(13,14)15;/h1-7H,(H,13,14,15);1H3.
What are the key properties of azane;1-formylnaphthalene-2-sulfonic acid?
azane;1-formylnaphthalene-2-sulfonic acid has a molecular weight of 253.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-formylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 173322674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).