sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate

C10H8NNaO7S2 — CID 23691040

IUPACsodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate
SMILESNc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)[O-])cc(O)c12.[Na+]
InChIInChI=1S/C10H9NO7S2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-1
InChIKeyQPILZZVXGUNELN-UHFFFAOYSA-M
MW341.30 g/mol
LogP-2.72
Rot. Bonds2

About sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate

sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate (PubChem CID 23691040) has the molecular formula C10H8NNaO7S2 and a molecular weight of 341.30 g/mol. Its IUPAC name is sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate.

Molecular Properties

Compound Namesodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate
PubChem CID23691040
Molecular FormulaC10H8NNaO7S2
Molecular Weight341.30 g/mol
Exact Mass340.96
IUPAC Namesodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate
SMILESNc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)[O-])cc(O)c12.[Na+]
InChIInChI=1S/C10H9NO7S2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-1
InChIKeyQPILZZVXGUNELN-UHFFFAOYSA-M
XLogP-2.72
TPSA157.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 5-2.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

7-Amino-4-hydroxy-2-naphthalenesulfonic acid
CID 6868
2-Amino-8-hydroxynaphthalene-6-sulfonic acid
CID 7022
1-Naphthalenesulfonic acid, 4-amino-5-hydroxy-
CID 6752
Azo fuchsine
CID 19116
8-Amino-4-hydroxynaphthalene-2-sulphonic acid
CID 68106
H acid
CID 7009
Monosodium 8-amino-1-naphthol-3,6-disulfonate
CID 23664361
Monosodium 8-amino-1-naphthol-3,6-disulfonate monohydrate
CID 60196419
4-Hydroxy-5-((2-hydroxybenzylidene)amino)naphthalene-2,7-disulfonic acid
CID 94428
4-(Acetylamino)-5-hydroxy-2,7-naphthalenedisulfonic acid
CID 64955
Disodium 2-phenylazo-3,5-naphthalenedisulfonate
CID 135421794
4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid
CID 23270

Frequently Asked Questions

What is the IUPAC name of sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate?
The IUPAC name of sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate (CID 23691040) is sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate.
What is the SMILES notation for sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate?
The canonical SMILES for sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate is Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)[O-])cc(O)c12.[Na+].
What is the InChIKey of sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate?
The InChIKey is QPILZZVXGUNELN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO7S2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-1.
What are the key properties of sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate?
sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate has a molecular weight of 341.30 g/mol, XLogP of -2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate is sourced from PubChem (CID 23691040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).