2-hydroxy-5-sulfamoylbenzenediazonium chloride

C6H6ClN3O3S — CID 14534997

IUPAC2-hydroxy-5-sulfamoylbenzenediazonium chloride
SMILESN#[N+]c1cc(S(N)(=O)=O)ccc1O.[Cl-]
InChIInChI=1S/C6H5N3O3S.ClH/c7-9-5-3-4(13(8,11)12)1-2-6(5)10;/h1-3H,(H2-,8,10,11,12);1H
InChIKeyGBBKVLLVWVTNPH-UHFFFAOYSA-N
MW235.65 g/mol
LogP-2.47
Rot. Bonds1

About 2-hydroxy-5-sulfamoylbenzenediazonium chloride

2-hydroxy-5-sulfamoylbenzenediazonium chloride (PubChem CID 14534997) has the molecular formula C6H6ClN3O3S and a molecular weight of 235.65 g/mol. Its IUPAC name is 2-hydroxy-5-sulfamoylbenzenediazonium chloride.

Molecular Properties

Compound Name2-hydroxy-5-sulfamoylbenzenediazonium chloride
PubChem CID14534997
Molecular FormulaC6H6ClN3O3S
Molecular Weight235.65 g/mol
Exact Mass234.98
IUPAC Name2-hydroxy-5-sulfamoylbenzenediazonium chloride
SMILESN#[N+]c1cc(S(N)(=O)=O)ccc1O.[Cl-]
InChIInChI=1S/C6H5N3O3S.ClH/c7-9-5-3-4(13(8,11)12)1-2-6(5)10;/h1-3H,(H2-,8,10,11,12);1H
InChIKeyGBBKVLLVWVTNPH-UHFFFAOYSA-N
XLogP-2.47
TPSA108.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 5-2.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-sulfamoylbenzenediazonium
CID 71401476
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
2-diazonio-4-sulfophenolate
CID 15131536
benzene-1,3-disulfonamide
CID 3090044
2-methoxy-5-sulfobenzenediazonium
CID 134929744
3-hydroxynaphthalene-2,7-disulfonamide
CID 70464253
ethyl 2-hydroxy-5-sulfamoylbenzoate
CID 21312229
2-hydroxy-1H-indole-5-sulfonamide
CID 57179622
4-hydroxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonamide
CID 169373397
2-amino-4-sulfamoylbenzenesulfonic acid
CID 152765505
2,4-disulfamoylbenzoic acid
CID 70122290
3-amino-4-(hydroxymethyl)benzenesulfonamide
CID 67323774

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-sulfamoylbenzenediazonium chloride?
The IUPAC name of 2-hydroxy-5-sulfamoylbenzenediazonium chloride (CID 14534997) is 2-hydroxy-5-sulfamoylbenzenediazonium chloride.
What is the SMILES notation for 2-hydroxy-5-sulfamoylbenzenediazonium chloride?
The canonical SMILES for 2-hydroxy-5-sulfamoylbenzenediazonium chloride is N#[N+]c1cc(S(N)(=O)=O)ccc1O.[Cl-].
What is the InChIKey of 2-hydroxy-5-sulfamoylbenzenediazonium chloride?
The InChIKey is GBBKVLLVWVTNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3S.ClH/c7-9-5-3-4(13(8,11)12)1-2-6(5)10;/h1-3H,(H2-,8,10,11,12);1H.
What are the key properties of 2-hydroxy-5-sulfamoylbenzenediazonium chloride?
2-hydroxy-5-sulfamoylbenzenediazonium chloride has a molecular weight of 235.65 g/mol, XLogP of -2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-sulfamoylbenzenediazonium chloride is sourced from PubChem (CID 14534997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).