sodium 7-hydroxynaphthalene-2-sulfonate

C10H7NaO4S — CID 23667647

IUPACsodium 7-hydroxynaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2ccc(O)cc2c1.[Na+]
InChIInChI=1S/C10H8O4S.Na/c11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9;/h1-6,11H,(H,12,13,14);/q;+1/p-1
InChIKeyIVXSQYUPCUOMRV-UHFFFAOYSA-M
MW246.22 g/mol
LogP-1.55
Rot. Bonds1

About sodium 7-hydroxynaphthalene-2-sulfonate

sodium 7-hydroxynaphthalene-2-sulfonate (PubChem CID 23667647) has the molecular formula C10H7NaO4S and a molecular weight of 246.22 g/mol. Its IUPAC name is sodium 7-hydroxynaphthalene-2-sulfonate.

Molecular Properties

Compound Namesodium 7-hydroxynaphthalene-2-sulfonate
PubChem CID23667647
Molecular FormulaC10H7NaO4S
Molecular Weight246.22 g/mol
Exact Mass246.00
IUPAC Namesodium 7-hydroxynaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2ccc(O)cc2c1.[Na+]
InChIInChI=1S/C10H8O4S.Na/c11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9;/h1-6,11H,(H,12,13,14);/q;+1/p-1
InChIKeyIVXSQYUPCUOMRV-UHFFFAOYSA-M
XLogP-1.55
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium 7-hydroxynaphthalene-2-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 6-hydroxynaphthalene-2-sulfonate
CID 23677963
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
CID 173012755
4,6-dihydroxynaphthalene-2-sulfonate
CID 19096570
lithium;sodium;bis(4-hydroxybenzenesulfonate)
CID 173430636
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147
disodium;bis(4-hydroxybenzenesulfonate);dihydrate
CID 160943601
bis(diaminomethylideneazanium);naphthalene-2,6-disulfonate
CID 142698795
6,7-diiodonaphthalene-2-sulfonate
CID 177131444
potassium 6,7-dimethylnaphthalene-2-sulfonate
CID 101323807
disodium;6-oxido-7-sulfonaphthalene-2-sulfonate
CID 101310177
sodium 7-(4-methylanilino)naphthalene-2-sulfonate
CID 101140046
zinc;bis(4-hydroxybenzenesulfonate);hydrate
CID 140994815

Frequently Asked Questions

What is the IUPAC name of sodium 7-hydroxynaphthalene-2-sulfonate?
The IUPAC name of sodium 7-hydroxynaphthalene-2-sulfonate (CID 23667647) is sodium 7-hydroxynaphthalene-2-sulfonate.
What is the SMILES notation for sodium 7-hydroxynaphthalene-2-sulfonate?
The canonical SMILES for sodium 7-hydroxynaphthalene-2-sulfonate is O=S(=O)([O-])c1ccc2ccc(O)cc2c1.[Na+].
What is the InChIKey of sodium 7-hydroxynaphthalene-2-sulfonate?
The InChIKey is IVXSQYUPCUOMRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O4S.Na/c11-9-3-1-7-2-4-10(15(12,13)14)6-8(7)5-9;/h1-6,11H,(H,12,13,14);/q;+1/p-1.
What are the key properties of sodium 7-hydroxynaphthalene-2-sulfonate?
sodium 7-hydroxynaphthalene-2-sulfonate has a molecular weight of 246.22 g/mol, XLogP of -1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 7-hydroxynaphthalene-2-sulfonate is sourced from PubChem (CID 23667647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).