2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium

C13H10N2O3S2 — CID 3880354

IUPAC2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium
SMILESO=S(=O)([O-])Sn1c(-c2ccccc2)c[n+]2ccccc12
InChIInChI=1S/C13H10N2O3S2/c16-20(17,18)19-15-12(11-6-2-1-3-7-11)10-14-9-5-4-8-13(14)15/h1-10H
InChIKeyNZLRYTZDKMNRSW-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.85
Rot. Bonds3

About 2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium

2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium (PubChem CID 3880354) has the molecular formula C13H10N2O3S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium
PubChem CID3880354
Molecular FormulaC13H10N2O3S2
Molecular Weight306.37 g/mol
Exact Mass306.01
IUPAC Name2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium
SMILESO=S(=O)([O-])Sn1c(-c2ccccc2)c[n+]2ccccc12
InChIInChI=1S/C13H10N2O3S2/c16-20(17,18)19-15-12(11-6-2-1-3-7-11)10-14-9-5-4-8-13(14)15/h1-10H
InChIKeyNZLRYTZDKMNRSW-UHFFFAOYSA-N
XLogP1.85
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium (CID 3880354) is 2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium is O=S(=O)([O-])Sn1c(-c2ccccc2)c[n+]2ccccc12.
What is the InChIKey of 2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium?
The InChIKey is NZLRYTZDKMNRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S2/c16-20(17,18)19-15-12(11-6-2-1-3-7-11)10-14-9-5-4-8-13(14)15/h1-10H.
What are the key properties of 2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium?
2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium has a molecular weight of 306.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-sulfonatosulfanylimidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 3880354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).