4-sulfobenzenediazonium bromide

C6H5BrN2O3S — CID 11010880

IUPAC4-sulfobenzenediazonium bromide
SMILESN#[N+]c1ccc(S(=O)(=O)O)cc1.[Br-]
InChIInChI=1S/C6H4N2O3S.BrH/c7-8-5-1-3-6(4-2-5)12(9,10)11;/h1-4H;1H
InChIKeyANNYLNHZODDTGI-UHFFFAOYSA-N
MW265.09 g/mol
LogP-1.58
Rot. Bonds1

About 4-sulfobenzenediazonium bromide

4-sulfobenzenediazonium bromide (PubChem CID 11010880) has the molecular formula C6H5BrN2O3S and a molecular weight of 265.09 g/mol. Its IUPAC name is 4-sulfobenzenediazonium bromide.

Molecular Properties

Compound Name4-sulfobenzenediazonium bromide
PubChem CID11010880
Molecular FormulaC6H5BrN2O3S
Molecular Weight265.09 g/mol
Exact Mass263.92
IUPAC Name4-sulfobenzenediazonium bromide
SMILESN#[N+]c1ccc(S(=O)(=O)O)cc1.[Br-]
InChIInChI=1S/C6H4N2O3S.BrH/c7-8-5-1-3-6(4-2-5)12(9,10)11;/h1-4H;1H
InChIKeyANNYLNHZODDTGI-UHFFFAOYSA-N
XLogP-1.58
TPSA82.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-diazoniobenzenesulfonate;hydron
CID 101327124
4-hydroxybenzenediazonium;sulfuric acid
CID 88765564
4-diazoniobenzenesulfonate;hydrochloride
CID 170853368
4-(2-sulfoethylsulfonyl)benzenediazonium
CID 11809152
4-aminobenzenesulfonic acid;copper
CID 174792931
trihydroxy-(4-sulfophenyl)phosphanium
CID 23415206
4-diazoniobenzenesulfonate;hydron;tetrafluoroborate
CID 170841623
4-aminobenzenesulfonic acid;aniline
CID 163532590
4-aminobenzenesulfonic acid;hydroxy(oxo)titanium
CID 88812544
(4-diazoniophenyl)sulfonyl-ethyl-dihydroxyazanium
CID 56627793
4-(4-sulfophenyl)benzenesulfonic acid;dihydrochloride
CID 88734804
sodium 4-(4-sulfophenyl)benzenesulfonic acid
CID 3084525

Frequently Asked Questions

What is the IUPAC name of 4-sulfobenzenediazonium bromide?
The IUPAC name of 4-sulfobenzenediazonium bromide (CID 11010880) is 4-sulfobenzenediazonium bromide.
What is the SMILES notation for 4-sulfobenzenediazonium bromide?
The canonical SMILES for 4-sulfobenzenediazonium bromide is N#[N+]c1ccc(S(=O)(=O)O)cc1.[Br-].
What is the InChIKey of 4-sulfobenzenediazonium bromide?
The InChIKey is ANNYLNHZODDTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3S.BrH/c7-8-5-1-3-6(4-2-5)12(9,10)11;/h1-4H;1H.
What are the key properties of 4-sulfobenzenediazonium bromide?
4-sulfobenzenediazonium bromide has a molecular weight of 265.09 g/mol, XLogP of -1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfobenzenediazonium bromide is sourced from PubChem (CID 11010880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).