1-chloronaphthalene-2-sulfonic acid

C10H7ClO3S — CID 14389107

IUPAC1-chloronaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2ccccc2c1Cl
InChIInChI=1S/C10H7ClO3S/c11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14/h1-6H,(H,12,13,14)
InChIKeyRRIWWPLTMPNCQG-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.74
Rot. Bonds1

About 1-chloronaphthalene-2-sulfonic acid

1-chloronaphthalene-2-sulfonic acid (PubChem CID 14389107) has the molecular formula C10H7ClO3S and a molecular weight of 242.68 g/mol. Its IUPAC name is 1-chloronaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name1-chloronaphthalene-2-sulfonic acid
PubChem CID14389107
Molecular FormulaC10H7ClO3S
Molecular Weight242.68 g/mol
Exact Mass241.98
IUPAC Name1-chloronaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2ccccc2c1Cl
InChIInChI=1S/C10H7ClO3S/c11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14/h1-6H,(H,12,13,14)
InChIKeyRRIWWPLTMPNCQG-UHFFFAOYSA-N
XLogP2.74
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of 1-chloronaphthalene-2-sulfonic acid?
The IUPAC name of 1-chloronaphthalene-2-sulfonic acid (CID 14389107) is 1-chloronaphthalene-2-sulfonic acid.
What is the SMILES notation for 1-chloronaphthalene-2-sulfonic acid?
The canonical SMILES for 1-chloronaphthalene-2-sulfonic acid is O=S(=O)(O)c1ccc2ccccc2c1Cl.
What is the InChIKey of 1-chloronaphthalene-2-sulfonic acid?
The InChIKey is RRIWWPLTMPNCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3S/c11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14/h1-6H,(H,12,13,14).
What are the key properties of 1-chloronaphthalene-2-sulfonic acid?
1-chloronaphthalene-2-sulfonic acid has a molecular weight of 242.68 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloronaphthalene-2-sulfonic acid is sourced from PubChem (CID 14389107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).