sodium 4-amino-5-hydroxynaphthalene-1-sulfonate

C10H8NNaO4S — CID 165020486

IUPACsodium 4-amino-5-hydroxynaphthalene-1-sulfonate
SMILESNc1ccc(S(=O)(=O)[O-])c2cccc(O)c12.[Na+]
InChIInChI=1S/C10H9NO4S.Na/c11-7-4-5-9(16(13,14)15)6-2-1-3-8(12)10(6)7;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1
InChIKeyLBVFMAJLENIDBX-UHFFFAOYSA-M
MW261.23 g/mol
LogP-1.96
Rot. Bonds1

About sodium 4-amino-5-hydroxynaphthalene-1-sulfonate

sodium 4-amino-5-hydroxynaphthalene-1-sulfonate (PubChem CID 165020486) has the molecular formula C10H8NNaO4S and a molecular weight of 261.23 g/mol. Its IUPAC name is sodium 4-amino-5-hydroxynaphthalene-1-sulfonate.

Molecular Properties

Compound Namesodium 4-amino-5-hydroxynaphthalene-1-sulfonate
PubChem CID165020486
Molecular FormulaC10H8NNaO4S
Molecular Weight261.23 g/mol
Exact Mass261.01
IUPAC Namesodium 4-amino-5-hydroxynaphthalene-1-sulfonate
SMILESNc1ccc(S(=O)(=O)[O-])c2cccc(O)c12.[Na+]
InChIInChI=1S/C10H9NO4S.Na/c11-7-4-5-9(16(13,14)15)6-2-1-3-8(12)10(6)7;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1
InChIKeyLBVFMAJLENIDBX-UHFFFAOYSA-M
XLogP-1.96
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium 5-amino-1-hydroxynaphthalene-2-sulfonate
CID 23677955
sodium 4-aminonaphthalene-1,5-disulfonic acid
CID 126465863
potassium 4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate
CID 5338245
sodium 4-amino-5-hydroxynaphthalene-1-sulfinate
CID 140800461
sodium 8-hydroxynaphthalene-1-sulfonate
CID 23672328
4,5-dimethylnaphthalene-1-sulfonate
CID 54458023
sodium 3-hydroxy-2-methoxybenzenesulfonate
CID 88685653
4-amino-5-chloronaphthalene-1-sulfonic acid
CID 130155184
sodium 2,3,4-triaminobenzenesulfonate
CID 175411941
5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid
CID 86234936
sodium;pyrene-1-sulfonate;pyrene-1-sulfonic acid
CID 174624723
sodium 8-hydroxyquinoline-5-sulfonate
CID 23719445

Frequently Asked Questions

What is the IUPAC name of sodium 4-amino-5-hydroxynaphthalene-1-sulfonate?
The IUPAC name of sodium 4-amino-5-hydroxynaphthalene-1-sulfonate (CID 165020486) is sodium 4-amino-5-hydroxynaphthalene-1-sulfonate.
What is the SMILES notation for sodium 4-amino-5-hydroxynaphthalene-1-sulfonate?
The canonical SMILES for sodium 4-amino-5-hydroxynaphthalene-1-sulfonate is Nc1ccc(S(=O)(=O)[O-])c2cccc(O)c12.[Na+].
What is the InChIKey of sodium 4-amino-5-hydroxynaphthalene-1-sulfonate?
The InChIKey is LBVFMAJLENIDBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO4S.Na/c11-7-4-5-9(16(13,14)15)6-2-1-3-8(12)10(6)7;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1.
What are the key properties of sodium 4-amino-5-hydroxynaphthalene-1-sulfonate?
sodium 4-amino-5-hydroxynaphthalene-1-sulfonate has a molecular weight of 261.23 g/mol, XLogP of -1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-amino-5-hydroxynaphthalene-1-sulfonate is sourced from PubChem (CID 165020486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).