2-diazonio-5-sulfamoylnaphthalen-1-olate

C10H7N3O3S — CID 19805275

IUPAC2-diazonio-5-sulfamoylnaphthalen-1-olate
SMILESN#[N+]c1ccc2c(S(N)(=O)=O)cccc2c1[O-]
InChIInChI=1S/C10H7N3O3S/c11-13-8-5-4-6-7(10(8)14)2-1-3-9(6)17(12,15)16/h1-5H,(H2-,12,14,15,16)
InChIKeyMAPXAYPMZFYYII-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.05
Rot. Bonds1

About 2-diazonio-5-sulfamoylnaphthalen-1-olate

2-diazonio-5-sulfamoylnaphthalen-1-olate (PubChem CID 19805275) has the molecular formula C10H7N3O3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-diazonio-5-sulfamoylnaphthalen-1-olate.

Molecular Properties

Compound Name2-diazonio-5-sulfamoylnaphthalen-1-olate
PubChem CID19805275
Molecular FormulaC10H7N3O3S
Molecular Weight249.25 g/mol
Exact Mass249.02
IUPAC Name2-diazonio-5-sulfamoylnaphthalen-1-olate
SMILESN#[N+]c1ccc2c(S(N)(=O)=O)cccc2c1[O-]
InChIInChI=1S/C10H7N3O3S/c11-13-8-5-4-6-7(10(8)14)2-1-3-9(6)17(12,15)16/h1-5H,(H2-,12,14,15,16)
InChIKeyMAPXAYPMZFYYII-UHFFFAOYSA-N
XLogP1.05
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diazonio-5-sulfamoylnaphthalen-1-olate?
The IUPAC name of 2-diazonio-5-sulfamoylnaphthalen-1-olate (CID 19805275) is 2-diazonio-5-sulfamoylnaphthalen-1-olate.
What is the SMILES notation for 2-diazonio-5-sulfamoylnaphthalen-1-olate?
The canonical SMILES for 2-diazonio-5-sulfamoylnaphthalen-1-olate is N#[N+]c1ccc2c(S(N)(=O)=O)cccc2c1[O-].
What is the InChIKey of 2-diazonio-5-sulfamoylnaphthalen-1-olate?
The InChIKey is MAPXAYPMZFYYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3S/c11-13-8-5-4-6-7(10(8)14)2-1-3-9(6)17(12,15)16/h1-5H,(H2-,12,14,15,16).
What are the key properties of 2-diazonio-5-sulfamoylnaphthalen-1-olate?
2-diazonio-5-sulfamoylnaphthalen-1-olate has a molecular weight of 249.25 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazonio-5-sulfamoylnaphthalen-1-olate is sourced from PubChem (CID 19805275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).