sodium 4-aminonaphthalene-1,5-disulfonic acid

C10H9NNaO6S2+ — CID 126465863

IUPACsodium 4-aminonaphthalene-1,5-disulfonic acid
SMILESNc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12.[Na+]
InChIInChI=1S/C10H9NO6S2.Na/c11-7-4-5-8(18(12,13)14)6-2-1-3-9(10(6)7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1
InChIKeyWOWVZFYIERZJSU-UHFFFAOYSA-N
MW326.31 g/mol
LogP-2.08
Rot. Bonds2

About sodium 4-aminonaphthalene-1,5-disulfonic acid

sodium 4-aminonaphthalene-1,5-disulfonic acid (PubChem CID 126465863) has the molecular formula C10H9NNaO6S2+ and a molecular weight of 326.31 g/mol. Its IUPAC name is sodium 4-aminonaphthalene-1,5-disulfonic acid.

Molecular Properties

Compound Namesodium 4-aminonaphthalene-1,5-disulfonic acid
PubChem CID126465863
Molecular FormulaC10H9NNaO6S2+
Molecular Weight326.31 g/mol
Exact Mass325.98
IUPAC Namesodium 4-aminonaphthalene-1,5-disulfonic acid
SMILESNc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12.[Na+]
InChIInChI=1S/C10H9NO6S2.Na/c11-7-4-5-8(18(12,13)14)6-2-1-3-9(10(6)7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1
InChIKeyWOWVZFYIERZJSU-UHFFFAOYSA-N
XLogP-2.08
TPSA134.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
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

4-amino-5-chloronaphthalene-1-sulfonic acid
CID 130155184
disodium;hydride;perylene-3,10-disulfonic acid
CID 173363289
4-aminonaphthalene-1-sulfonic acid
CID 6790
8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
CID 148653145
trisodium;8-aminonaphthalene-1,3,5-trisulfonic acid;hydride
CID 173300680
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
4-amino-3-hydroxynaphthalene-1,5-disulfonic acid
CID 19768160
sodium 4-amino-5-hydroxynaphthalene-1-sulfonate
CID 165020486
5,8-diamino-4-hydroxynaphthalene-1-sulfonic acid
CID 86234936
7,8-diaminonaphthalene-1-sulfonic acid
CID 82254374
2-aminonaphthalene-1,8-disulfonic acid
CID 101310221

Frequently Asked Questions

What is the IUPAC name of sodium 4-aminonaphthalene-1,5-disulfonic acid?
The IUPAC name of sodium 4-aminonaphthalene-1,5-disulfonic acid (CID 126465863) is sodium 4-aminonaphthalene-1,5-disulfonic acid.
What is the SMILES notation for sodium 4-aminonaphthalene-1,5-disulfonic acid?
The canonical SMILES for sodium 4-aminonaphthalene-1,5-disulfonic acid is Nc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12.[Na+].
What is the InChIKey of sodium 4-aminonaphthalene-1,5-disulfonic acid?
The InChIKey is WOWVZFYIERZJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO6S2.Na/c11-7-4-5-8(18(12,13)14)6-2-1-3-9(10(6)7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1.
What are the key properties of sodium 4-aminonaphthalene-1,5-disulfonic acid?
sodium 4-aminonaphthalene-1,5-disulfonic acid has a molecular weight of 326.31 g/mol, XLogP of -2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-aminonaphthalene-1,5-disulfonic acid is sourced from PubChem (CID 126465863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).