sodium naphthalene-2-sulfonate

C10H7NaO3S — CID 23661868

IUPACsodium naphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2ccccc2c1.[Na+]
InChIInChI=1S/C10H8O3S.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1
InChIKeyYWPOLRBWRRKLMW-UHFFFAOYSA-M
MW230.22 g/mol
LogP-1.25
Rot. Bonds1

About sodium naphthalene-2-sulfonate

sodium naphthalene-2-sulfonate (PubChem CID 23661868) has the molecular formula C10H7NaO3S and a molecular weight of 230.22 g/mol. Its IUPAC name is sodium naphthalene-2-sulfonate.

Molecular Properties

Compound Namesodium naphthalene-2-sulfonate
PubChem CID23661868
Molecular FormulaC10H7NaO3S
Molecular Weight230.22 g/mol
Exact Mass230.00
IUPAC Namesodium naphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2ccccc2c1.[Na+]
InChIInChI=1S/C10H8O3S.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1
InChIKeyYWPOLRBWRRKLMW-UHFFFAOYSA-M
XLogP-1.25
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.25
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 sodium naphthalene-2-sulfonate?
The IUPAC name of sodium naphthalene-2-sulfonate (CID 23661868) is sodium naphthalene-2-sulfonate.
What is the SMILES notation for sodium naphthalene-2-sulfonate?
The canonical SMILES for sodium naphthalene-2-sulfonate is O=S(=O)([O-])c1ccc2ccccc2c1.[Na+].
What is the InChIKey of sodium naphthalene-2-sulfonate?
The InChIKey is YWPOLRBWRRKLMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O3S.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1.
What are the key properties of sodium naphthalene-2-sulfonate?
sodium naphthalene-2-sulfonate has a molecular weight of 230.22 g/mol, XLogP of -1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium naphthalene-2-sulfonate is sourced from PubChem (CID 23661868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).