4-diazoniobenzenesulfonate;hydron

C6H5N2O3S+ — CID 101327124

IUPAC4-diazoniobenzenesulfonate;hydron
SMILESN#[N+]c1ccc(S(=O)(=O)[O-])cc1.[H+]
InChIInChI=1S/C6H4N2O3S/c7-8-5-1-3-6(4-2-5)12(9,10)11/h1-4H/p+1
InChIKeyUEUIKXVPXLWUDU-UHFFFAOYSA-O
MW185.18 g/mol
LogP1.19
Rot. Bonds1

About 4-diazoniobenzenesulfonate;hydron

4-diazoniobenzenesulfonate;hydron (PubChem CID 101327124) has the molecular formula C6H5N2O3S+ and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-diazoniobenzenesulfonate;hydron.

Molecular Properties

Compound Name4-diazoniobenzenesulfonate;hydron
PubChem CID101327124
Molecular FormulaC6H5N2O3S+
Molecular Weight185.18 g/mol
Exact Mass185.00
IUPAC Name4-diazoniobenzenesulfonate;hydron
SMILESN#[N+]c1ccc(S(=O)(=O)[O-])cc1.[H+]
InChIInChI=1S/C6H4N2O3S/c7-8-5-1-3-6(4-2-5)12(9,10)11/h1-4H/p+1
InChIKeyUEUIKXVPXLWUDU-UHFFFAOYSA-O
XLogP1.19
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 4-diazoniobenzenesulfonate;hydron?
The IUPAC name of 4-diazoniobenzenesulfonate;hydron (CID 101327124) is 4-diazoniobenzenesulfonate;hydron.
What is the SMILES notation for 4-diazoniobenzenesulfonate;hydron?
The canonical SMILES for 4-diazoniobenzenesulfonate;hydron is N#[N+]c1ccc(S(=O)(=O)[O-])cc1.[H+].
What is the InChIKey of 4-diazoniobenzenesulfonate;hydron?
The InChIKey is UEUIKXVPXLWUDU-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H4N2O3S/c7-8-5-1-3-6(4-2-5)12(9,10)11/h1-4H/p+1.
What are the key properties of 4-diazoniobenzenesulfonate;hydron?
4-diazoniobenzenesulfonate;hydron has a molecular weight of 185.18 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazoniobenzenesulfonate;hydron is sourced from PubChem (CID 101327124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).