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

C29H23ClN2O6S — CID 10721639

IUPAC4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
SMILESNS(=O)(=O)c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C29H23N2O2S.ClHO4/c30-34(32,33)27-18-16-26(17-19-27)31-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(31)24-14-8-3-9-15-24;2-1(3,4)5/h1-21H,(H2,30,32,33);(H,2,3,4,5)/q+1;/p-1
InChIKeyXIFDALVNAPTWTQ-UHFFFAOYSA-M
MW563.03 g/mol
LogP0.86
Rot. Bonds5

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

4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate (PubChem CID 10721639) has the molecular formula C29H23ClN2O6S and a molecular weight of 563.03 g/mol. Its IUPAC name is 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate.

Molecular Properties

Compound Name4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
PubChem CID10721639
Molecular FormulaC29H23ClN2O6S
Molecular Weight563.03 g/mol
Exact Mass562.10
IUPAC Name4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
SMILESNS(=O)(=O)c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C29H23N2O2S.ClHO4/c30-34(32,33)27-18-16-26(17-19-27)31-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(31)24-14-8-3-9-15-24;2-1(3,4)5/h1-21H,(H2,30,32,33);(H,2,3,4,5)/q+1;/p-1
InChIKeyXIFDALVNAPTWTQ-UHFFFAOYSA-M
XLogP0.86
TPSA156.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.03
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate?
The IUPAC name of 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate (CID 10721639) is 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate.
What is the SMILES notation for 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate?
The canonical SMILES for 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate is NS(=O)(=O)c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate?
The InChIKey is XIFDALVNAPTWTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H23N2O2S.ClHO4/c30-34(32,33)27-18-16-26(17-19-27)31-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(31)24-14-8-3-9-15-24;2-1(3,4)5/h1-21H,(H2,30,32,33);(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate?
4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate has a molecular weight of 563.03 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate is sourced from PubChem (CID 10721639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).