2-diazonio-4-sulfophenolate

C6H4N2O4S — CID 15131536

IUPAC2-diazonio-4-sulfophenolate
SMILESN#[N+]c1cc(S(=O)(=O)O)ccc1[O-]
InChIInChI=1S/C6H4N2O4S/c7-8-5-3-4(13(10,11)12)1-2-6(5)9/h1-3H,(H-,9,10,11,12)
InChIKeyYCPKUGNGAFETHS-UHFFFAOYSA-N
MW200.18 g/mol
LogP0.49
Rot. Bonds1

About 2-diazonio-4-sulfophenolate

2-diazonio-4-sulfophenolate (PubChem CID 15131536) has the molecular formula C6H4N2O4S and a molecular weight of 200.18 g/mol. Its IUPAC name is 2-diazonio-4-sulfophenolate.

Molecular Properties

Compound Name2-diazonio-4-sulfophenolate
PubChem CID15131536
Molecular FormulaC6H4N2O4S
Molecular Weight200.18 g/mol
Exact Mass199.99
IUPAC Name2-diazonio-4-sulfophenolate
SMILESN#[N+]c1cc(S(=O)(=O)O)ccc1[O-]
InChIInChI=1S/C6H4N2O4S/c7-8-5-3-4(13(10,11)12)1-2-6(5)9/h1-3H,(H-,9,10,11,12)
InChIKeyYCPKUGNGAFETHS-UHFFFAOYSA-N
XLogP0.49
TPSA105.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-5-sulfobenzenediazonium
CID 134929744
4-sulfobenzenediazonium bromide
CID 11010880
2-hydroxy-4-sulfamoylbenzenediazonium
CID 71401476
sodium 2-[(Z)-hydrazinylidenemethyl]-4-sulfophenolate
CID 122207686
2-hydroxy-5-sulfamoylbenzenediazonium chloride
CID 14534997
dipotassium;lead(2+);4-sulfophthalate;carbonate
CID 173410108
CID 88530425
CID 88530425
4-amino-3-bromobenzenesulfonic acid
CID 18398323
3-amino-4-[2-(2-amino-4-sulfophenyl)hydrazinyl]benzenesulfonic acid
CID 2749936
anthracene-2,6-disulfonic acid;bis(guanidine)
CID 175713431
CID 87753732
CID 87753732
CID 87885081
CID 87885081

Frequently Asked Questions

What is the IUPAC name of 2-diazonio-4-sulfophenolate?
The IUPAC name of 2-diazonio-4-sulfophenolate (CID 15131536) is 2-diazonio-4-sulfophenolate.
What is the SMILES notation for 2-diazonio-4-sulfophenolate?
The canonical SMILES for 2-diazonio-4-sulfophenolate is N#[N+]c1cc(S(=O)(=O)O)ccc1[O-].
What is the InChIKey of 2-diazonio-4-sulfophenolate?
The InChIKey is YCPKUGNGAFETHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O4S/c7-8-5-3-4(13(10,11)12)1-2-6(5)9/h1-3H,(H-,9,10,11,12).
What are the key properties of 2-diazonio-4-sulfophenolate?
2-diazonio-4-sulfophenolate has a molecular weight of 200.18 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazonio-4-sulfophenolate is sourced from PubChem (CID 15131536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).