sodium 8-hydroxynaphthalene-1-sulfonate

C10H7NaO4S — CID 23672328

IUPACsodium 8-hydroxynaphthalene-1-sulfonate
SMILESO=S(=O)([O-])c1cccc2cccc(O)c12.[Na+]
InChIInChI=1S/C10H8O4S.Na/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1
InChIKeyPEYXCGCCIWJCTM-UHFFFAOYSA-M
MW246.22 g/mol
LogP-1.55
Rot. Bonds1

About sodium 8-hydroxynaphthalene-1-sulfonate

sodium 8-hydroxynaphthalene-1-sulfonate (PubChem CID 23672328) has the molecular formula C10H7NaO4S and a molecular weight of 246.22 g/mol. Its IUPAC name is sodium 8-hydroxynaphthalene-1-sulfonate.

Molecular Properties

Compound Namesodium 8-hydroxynaphthalene-1-sulfonate
PubChem CID23672328
Molecular FormulaC10H7NaO4S
Molecular Weight246.22 g/mol
Exact Mass246.00
IUPAC Namesodium 8-hydroxynaphthalene-1-sulfonate
SMILESO=S(=O)([O-])c1cccc2cccc(O)c12.[Na+]
InChIInChI=1S/C10H8O4S.Na/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1
InChIKeyPEYXCGCCIWJCTM-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'}

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Related Compounds

sodium 8-methylnaphthalene-1-sulfonate
CID 101315117
sodium 8-chloronaphthalene-1-sulfonate
CID 23667431
magnesium 8-aminonaphthalene-1-sulfonate
CID 3017064
sodium;formaldehyde;2-hydroxybenzenesulfonate
CID 87657944
sodium;7-(carbamoyldiazenyl)-8-hydroxynaphthalene-1-sulfonate;dihydrate
CID 135848721
8-cyanonaphthalene-1-sulfonate
CID 4578291
disodium;anthracene-1,5-disulfonate
CID 87786614
potassium 3-hydroxypyrene-1-sulfonate
CID 160675627
sodium 4-amino-5-hydroxynaphthalene-1-sulfonate
CID 165020486
sodium 3-hydroxy-2-methoxybenzenesulfonate
CID 88685653
trisodium;8-hydroxy-7-[[4-[4-[(2-hydroxy-8-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate
CID 2753299
sodium;pyrene-1-sulfonate;pyrene-1-sulfonic acid
CID 174624723

Frequently Asked Questions

What is the IUPAC name of sodium 8-hydroxynaphthalene-1-sulfonate?
The IUPAC name of sodium 8-hydroxynaphthalene-1-sulfonate (CID 23672328) is sodium 8-hydroxynaphthalene-1-sulfonate.
What is the SMILES notation for sodium 8-hydroxynaphthalene-1-sulfonate?
The canonical SMILES for sodium 8-hydroxynaphthalene-1-sulfonate is O=S(=O)([O-])c1cccc2cccc(O)c12.[Na+].
What is the InChIKey of sodium 8-hydroxynaphthalene-1-sulfonate?
The InChIKey is PEYXCGCCIWJCTM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O4S.Na/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1.
What are the key properties of sodium 8-hydroxynaphthalene-1-sulfonate?
sodium 8-hydroxynaphthalene-1-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 8-hydroxynaphthalene-1-sulfonate is sourced from PubChem (CID 23672328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).