sodium 4-methoxynaphthalene-1-sulfonate

C11H9NaO4S — CID 23665127

IUPACsodium 4-methoxynaphthalene-1-sulfonate
SMILESCOc1ccc(S(=O)(=O)[O-])c2ccccc12.[Na+]
InChIInChI=1S/C11H10O4S.Na/c1-15-10-6-7-11(16(12,13)14)9-5-3-2-4-8(9)10;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1
InChIKeyKVPSHPHORMRGOT-UHFFFAOYSA-M
MW260.25 g/mol
LogP-1.24
Rot. Bonds2

About sodium 4-methoxynaphthalene-1-sulfonate

sodium 4-methoxynaphthalene-1-sulfonate (PubChem CID 23665127) has the molecular formula C11H9NaO4S and a molecular weight of 260.25 g/mol. Its IUPAC name is sodium 4-methoxynaphthalene-1-sulfonate.

Molecular Properties

Compound Namesodium 4-methoxynaphthalene-1-sulfonate
PubChem CID23665127
Molecular FormulaC11H9NaO4S
Molecular Weight260.25 g/mol
Exact Mass260.01
IUPAC Namesodium 4-methoxynaphthalene-1-sulfonate
SMILESCOc1ccc(S(=O)(=O)[O-])c2ccccc12.[Na+]
InChIInChI=1S/C11H10O4S.Na/c1-15-10-6-7-11(16(12,13)14)9-5-3-2-4-8(9)10;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1
InChIKeyKVPSHPHORMRGOT-UHFFFAOYSA-M
XLogP-1.24
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-methoxynaphthalene-1-sulfonate?
The IUPAC name of sodium 4-methoxynaphthalene-1-sulfonate (CID 23665127) is sodium 4-methoxynaphthalene-1-sulfonate.
What is the SMILES notation for sodium 4-methoxynaphthalene-1-sulfonate?
The canonical SMILES for sodium 4-methoxynaphthalene-1-sulfonate is COc1ccc(S(=O)(=O)[O-])c2ccccc12.[Na+].
What is the InChIKey of sodium 4-methoxynaphthalene-1-sulfonate?
The InChIKey is KVPSHPHORMRGOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10O4S.Na/c1-15-10-6-7-11(16(12,13)14)9-5-3-2-4-8(9)10;/h2-7H,1H3,(H,12,13,14);/q;+1/p-1.
What are the key properties of sodium 4-methoxynaphthalene-1-sulfonate?
sodium 4-methoxynaphthalene-1-sulfonate has a molecular weight of 260.25 g/mol, XLogP of -1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-methoxynaphthalene-1-sulfonate is sourced from PubChem (CID 23665127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).