2-hydroxy-4-sulfamoylbenzenediazonium

C6H6N3O3S+ — CID 71401476

IUPAC2-hydroxy-4-sulfamoylbenzenediazonium
SMILESN#[N+]c1ccc(S(N)(=O)=O)cc1O
InChIInChI=1S/C6H5N3O3S/c7-9-5-2-1-4(3-6(5)10)13(8,11)12/h1-3H,(H2-,8,10,11,12)/p+1
InChIKeySAICCWRHBPIUGY-UHFFFAOYSA-O
MW200.20 g/mol
LogP0.52
Rot. Bonds1

About 2-hydroxy-4-sulfamoylbenzenediazonium

2-hydroxy-4-sulfamoylbenzenediazonium (PubChem CID 71401476) has the molecular formula C6H6N3O3S+ and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-hydroxy-4-sulfamoylbenzenediazonium.

Molecular Properties

Compound Name2-hydroxy-4-sulfamoylbenzenediazonium
PubChem CID71401476
Molecular FormulaC6H6N3O3S+
Molecular Weight200.20 g/mol
Exact Mass200.01
IUPAC Name2-hydroxy-4-sulfamoylbenzenediazonium
SMILESN#[N+]c1ccc(S(N)(=O)=O)cc1O
InChIInChI=1S/C6H5N3O3S/c7-9-5-2-1-4(3-6(5)10)13(8,11)12/h1-3H,(H2-,8,10,11,12)/p+1
InChIKeySAICCWRHBPIUGY-UHFFFAOYSA-O
XLogP0.52
TPSA108.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.52
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-5-sulfamoylbenzenediazonium chloride
CID 14534997
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
benzene-1,3-disulfonamide
CID 3090044
4-aminobenzenesulfonamide;azanylidyneazanium
CID 21219865
2-methoxy-5-sulfobenzenediazonium
CID 134929744
3-hydroxynaphthalene-2,7-disulfonamide
CID 70464253
4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide
CID 54911444
2-hydroxy-1H-indole-5-sulfonamide
CID 57179622
2-amino-4-sulfamoylbenzenesulfonic acid
CID 152765505
3-iodobenzenesulfonamide
CID 11219806
3-amino-4-(hydroxymethyl)benzenesulfonamide
CID 67323774
2,4-disulfamoylbenzoic acid
CID 70122290

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-sulfamoylbenzenediazonium?
The IUPAC name of 2-hydroxy-4-sulfamoylbenzenediazonium (CID 71401476) is 2-hydroxy-4-sulfamoylbenzenediazonium.
What is the SMILES notation for 2-hydroxy-4-sulfamoylbenzenediazonium?
The canonical SMILES for 2-hydroxy-4-sulfamoylbenzenediazonium is N#[N+]c1ccc(S(N)(=O)=O)cc1O.
What is the InChIKey of 2-hydroxy-4-sulfamoylbenzenediazonium?
The InChIKey is SAICCWRHBPIUGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5N3O3S/c7-9-5-2-1-4(3-6(5)10)13(8,11)12/h1-3H,(H2-,8,10,11,12)/p+1.
What are the key properties of 2-hydroxy-4-sulfamoylbenzenediazonium?
2-hydroxy-4-sulfamoylbenzenediazonium has a molecular weight of 200.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-sulfamoylbenzenediazonium is sourced from PubChem (CID 71401476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).