2-amino-5-iodonaphthalene-1-sulfonic acid

C10H8INO3S — CID 163854442

IUPAC2-amino-5-iodonaphthalene-1-sulfonic acid
SMILESNc1ccc2c(I)cccc2c1S(=O)(=O)O
InChIInChI=1S/C10H8INO3S/c11-8-3-1-2-7-6(8)4-5-9(12)10(7)16(13,14)15/h1-5H,12H2,(H,13,14,15)
InChIKeyOXCVAALWMWQZKO-UHFFFAOYSA-N
MW349.15 g/mol
LogP2.27
Rot. Bonds1

About 2-amino-5-iodonaphthalene-1-sulfonic acid

2-amino-5-iodonaphthalene-1-sulfonic acid (PubChem CID 163854442) has the molecular formula C10H8INO3S and a molecular weight of 349.15 g/mol. Its IUPAC name is 2-amino-5-iodonaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name2-amino-5-iodonaphthalene-1-sulfonic acid
PubChem CID163854442
Molecular FormulaC10H8INO3S
Molecular Weight349.15 g/mol
Exact Mass348.93
IUPAC Name2-amino-5-iodonaphthalene-1-sulfonic acid
SMILESNc1ccc2c(I)cccc2c1S(=O)(=O)O
InChIInChI=1S/C10H8INO3S/c11-8-3-1-2-7-6(8)4-5-9(12)10(7)16(13,14)15/h1-5H,12H2,(H,13,14,15)
InChIKeyOXCVAALWMWQZKO-UHFFFAOYSA-N
XLogP2.27
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodonaphthalene-1-sulfonic acid?
The IUPAC name of 2-amino-5-iodonaphthalene-1-sulfonic acid (CID 163854442) is 2-amino-5-iodonaphthalene-1-sulfonic acid.
What is the SMILES notation for 2-amino-5-iodonaphthalene-1-sulfonic acid?
The canonical SMILES for 2-amino-5-iodonaphthalene-1-sulfonic acid is Nc1ccc2c(I)cccc2c1S(=O)(=O)O.
What is the InChIKey of 2-amino-5-iodonaphthalene-1-sulfonic acid?
The InChIKey is OXCVAALWMWQZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO3S/c11-8-3-1-2-7-6(8)4-5-9(12)10(7)16(13,14)15/h1-5H,12H2,(H,13,14,15).
What are the key properties of 2-amino-5-iodonaphthalene-1-sulfonic acid?
2-amino-5-iodonaphthalene-1-sulfonic acid has a molecular weight of 349.15 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodonaphthalene-1-sulfonic acid is sourced from PubChem (CID 163854442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).