naphthalene-2-sulfonate

C10H7O3S- — CID 3769791

IUPACnaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2ccccc2c1
InChIInChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)/p-1
InChIKeyKVBGVZZKJNLNJU-UHFFFAOYSA-M
MW207.23 g/mol
LogP1.74
Rot. Bonds1

About naphthalene-2-sulfonate

naphthalene-2-sulfonate (PubChem CID 3769791) has the molecular formula C10H7O3S- and a molecular weight of 207.23 g/mol. Its IUPAC name is naphthalene-2-sulfonate.

Molecular Properties

Compound Namenaphthalene-2-sulfonate
PubChem CID3769791
Molecular FormulaC10H7O3S-
Molecular Weight207.23 g/mol
Exact Mass207.01
IUPAC Namenaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2ccccc2c1
InChIInChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)/p-1
InChIKeyKVBGVZZKJNLNJU-UHFFFAOYSA-M
XLogP1.74
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 naphthalene-2-sulfonate?
The IUPAC name of naphthalene-2-sulfonate (CID 3769791) is naphthalene-2-sulfonate.
What is the SMILES notation for naphthalene-2-sulfonate?
The canonical SMILES for naphthalene-2-sulfonate is O=S(=O)([O-])c1ccc2ccccc2c1.
What is the InChIKey of naphthalene-2-sulfonate?
The InChIKey is KVBGVZZKJNLNJU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)/p-1.
What are the key properties of naphthalene-2-sulfonate?
naphthalene-2-sulfonate has a molecular weight of 207.23 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2-sulfonate is sourced from PubChem (CID 3769791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).