sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate

C10H6N2NaO4S+ — CID 23707139

IUPACsodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate
SMILESN#[N+]c1cc(S(=O)(=O)[O-])c2ccccc2c1O.[Na+]
InChIInChI=1S/C10H6N2O4S.Na/c11-12-8-5-9(17(14,15)16)6-3-1-2-4-7(6)10(8)13;/h1-5H,(H-,13,14,15,16);/q;+1
InChIKeyFQWQNAFHLYNZMF-UHFFFAOYSA-N
MW273.22 g/mol
LogP-1.06
Rot. Bonds1

About sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate

sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate (PubChem CID 23707139) has the molecular formula C10H6N2NaO4S+ and a molecular weight of 273.22 g/mol. Its IUPAC name is sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate.

Molecular Properties

Compound Namesodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate
PubChem CID23707139
Molecular FormulaC10H6N2NaO4S+
Molecular Weight273.22 g/mol
Exact Mass272.99
IUPAC Namesodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate
SMILESN#[N+]c1cc(S(=O)(=O)[O-])c2ccccc2c1O.[Na+]
InChIInChI=1S/C10H6N2O4S.Na/c11-12-8-5-9(17(14,15)16)6-3-1-2-4-7(6)10(8)13;/h1-5H,(H-,13,14,15,16);/q;+1
InChIKeyFQWQNAFHLYNZMF-UHFFFAOYSA-N
XLogP-1.06
TPSA105.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-diazoniobenzenesulfonate
CID 10535477
disodium;4-aminonaphthalene-1,3-disulfonate
CID 101310208
2-diazonio-4-methylsulfonylnaphthalen-1-olate
CID 22095495
5-chloro-2-methylbenzenediazonium;5-sulfonaphthalene-1-sulfonate
CID 21424293
bis(2,4-dichlorobenzenediazonium);naphthalene-1,5-disulfonate;hydrate
CID 56844299
sodium 5-amino-1-hydroxynaphthalene-2-sulfonate
CID 23677955
2,4-dichlorobenzenediazonium;5-sulfonaphthalene-1-sulfonate
CID 19908751
9,10-dihydroxyanthracene-1-diazonium
CID 90949542
sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride
CID 173284943
disodium;2,3-dihydroxybenzene-1,4-disulfonate
CID 15046734
1,4-dihydroxynaphthalene-2-sulfonamide
CID 91023096
3-methylnaphthalene-1-sulfonate
CID 59366561

Frequently Asked Questions

What is the IUPAC name of sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate?
The IUPAC name of sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate (CID 23707139) is sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate.
What is the SMILES notation for sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate?
The canonical SMILES for sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate is N#[N+]c1cc(S(=O)(=O)[O-])c2ccccc2c1O.[Na+].
What is the InChIKey of sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate?
The InChIKey is FQWQNAFHLYNZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4S.Na/c11-12-8-5-9(17(14,15)16)6-3-1-2-4-7(6)10(8)13;/h1-5H,(H-,13,14,15,16);/q;+1.
What are the key properties of sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate?
sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate has a molecular weight of 273.22 g/mol, XLogP of -1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate is sourced from PubChem (CID 23707139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).