N-diazopyridine-3-sulfonamide

C5H4N4O2S — CID 11816261

IUPACN-diazopyridine-3-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1cccnc1
InChIInChI=1S/C5H4N4O2S/c6-8-9-12(10,11)5-2-1-3-7-4-5/h1-4H
InChIKeyUQOLEKZLCRBTMR-UHFFFAOYSA-N
MW184.18 g/mol
LogP1.08
Rot. Bonds2

About N-diazopyridine-3-sulfonamide

N-diazopyridine-3-sulfonamide (PubChem CID 11816261) has the molecular formula C5H4N4O2S and a molecular weight of 184.18 g/mol. Its IUPAC name is N-diazopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-diazopyridine-3-sulfonamide
PubChem CID11816261
Molecular FormulaC5H4N4O2S
Molecular Weight184.18 g/mol
Exact Mass184.01
IUPAC NameN-diazopyridine-3-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1cccnc1
InChIInChI=1S/C5H4N4O2S/c6-8-9-12(10,11)5-2-1-3-7-4-5/h1-4H
InChIKeyUQOLEKZLCRBTMR-UHFFFAOYSA-N
XLogP1.08
TPSA95.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diazopyridine-3-sulfonamide?
The IUPAC name of N-diazopyridine-3-sulfonamide (CID 11816261) is N-diazopyridine-3-sulfonamide.
What is the SMILES notation for N-diazopyridine-3-sulfonamide?
The canonical SMILES for N-diazopyridine-3-sulfonamide is [N-]=[N+]=NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-diazopyridine-3-sulfonamide?
The InChIKey is UQOLEKZLCRBTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2S/c6-8-9-12(10,11)5-2-1-3-7-4-5/h1-4H.
What are the key properties of N-diazopyridine-3-sulfonamide?
N-diazopyridine-3-sulfonamide has a molecular weight of 184.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazopyridine-3-sulfonamide is sourced from PubChem (CID 11816261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).