4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate

C25H23ClN2O6S — CID 10505991

IUPAC4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
SMILESCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(N)(=O)=O)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C25H23N2O2S.ClHO4/c1-2-22-17-21(19-9-5-3-6-10-19)18-25(20-11-7-4-8-12-20)27(22)23-13-15-24(16-14-23)30(26,28)29;2-1(3,4)5/h3-18H,2H2,1H3,(H2,26,28,29);(H,2,3,4,5)/q+1;/p-1
InChIKeyRDKBBYBAYHQZBE-UHFFFAOYSA-M
MW514.99 g/mol
LogP-0.25
Rot. Bonds5

About 4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate

4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate (PubChem CID 10505991) has the molecular formula C25H23ClN2O6S and a molecular weight of 514.99 g/mol. Its IUPAC name is 4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate.

Molecular Properties

Compound Name4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
PubChem CID10505991
Molecular FormulaC25H23ClN2O6S
Molecular Weight514.99 g/mol
Exact Mass514.10
IUPAC Name4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
SMILESCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(N)(=O)=O)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C25H23N2O2S.ClHO4/c1-2-22-17-21(19-9-5-3-6-10-19)18-25(20-11-7-4-8-12-20)27(22)23-13-15-24(16-14-23)30(26,28)29;2-1(3,4)5/h3-18H,2H2,1H3,(H2,26,28,29);(H,2,3,4,5)/q+1;/p-1
InChIKeyRDKBBYBAYHQZBE-UHFFFAOYSA-M
XLogP-0.25
TPSA156.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.99
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate 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 4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate?
The IUPAC name of 4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate (CID 10505991) is 4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate.
What is the SMILES notation for 4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate?
The canonical SMILES for 4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate is CCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(N)(=O)=O)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate?
The InChIKey is RDKBBYBAYHQZBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H23N2O2S.ClHO4/c1-2-22-17-21(19-9-5-3-6-10-19)18-25(20-11-7-4-8-12-20)27(22)23-13-15-24(16-14-23)30(26,28)29;2-1(3,4)5/h3-18H,2H2,1H3,(H2,26,28,29);(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate?
4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate has a molecular weight of 514.99 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate is sourced from PubChem (CID 10505991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).