4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate

C15H19ClN2O6S — CID 10572515

IUPAC4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
SMILESCc1cc(C)[n+](-c2ccc(S(N)(=O)=O)cc2)c(C)c1C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H19N2O2S.ClHO4/c1-10-9-11(2)17(13(4)12(10)3)14-5-7-15(8-6-14)20(16,18)19;2-1(3,4)5/h5-9H,1-4H3,(H2,16,18,19);(H,2,3,4,5)/q+1;/p-1
InChIKeyJCIGNHJHHPGLNA-UHFFFAOYSA-M
MW390.85 g/mol
LogP-2.91
Rot. Bonds2

About 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate

4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate (PubChem CID 10572515) has the molecular formula C15H19ClN2O6S and a molecular weight of 390.85 g/mol. Its IUPAC name is 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate.

Molecular Properties

Compound Name4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
PubChem CID10572515
Molecular FormulaC15H19ClN2O6S
Molecular Weight390.85 g/mol
Exact Mass390.07
IUPAC Name4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
SMILESCc1cc(C)[n+](-c2ccc(S(N)(=O)=O)cc2)c(C)c1C.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H19N2O2S.ClHO4/c1-10-9-11(2)17(13(4)12(10)3)14-5-7-15(8-6-14)20(16,18)19;2-1(3,4)5/h5-9H,1-4H3,(H2,16,18,19);(H,2,3,4,5)/q+1;/p-1
InChIKeyJCIGNHJHHPGLNA-UHFFFAOYSA-M
XLogP-2.91
TPSA156.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 5-2.91
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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Related Compounds

1-N-(4-Sulfamoylphenyl-ethyl)-2,4,6-trimethylpyridinium
CID 5289159
Benzenesulfonamide, p-(2,5-dimethylpyrrol-1-yl)-
CID 213325
4-(2,6-Dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
CID 10836786
2,6-Dimethyl-4-phenyl-1-(4-sulfamoyl-phenyl)-pyridinium; perchlorate
CID 10836787
N-(2-chloro-4,6-dimethylpyridin-3-yl)-4-methylbenzenesulfonamide
CID 684357
Collidinium p-toluenesulfonate
CID 2724550
4-[2-(2,3,4,6-Tetramethylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate
CID 10387325
4-[2-(2,4-Dimethyl-6-propan-2-ylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate
CID 10477954
4-[4-Phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]benzenesulfonamide perchlorate
CID 10505384
4-(2-Ethyl-4,6-diphenylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
CID 10505991
4-[2-(2,4-Diphenyl-6-propylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate
CID 10507009
4-[2-(2-Methyl-4,6-diphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate
CID 10530223

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate?
The IUPAC name of 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate (CID 10572515) is 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate.
What is the SMILES notation for 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate?
The canonical SMILES for 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate is Cc1cc(C)[n+](-c2ccc(S(N)(=O)=O)cc2)c(C)c1C.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate?
The InChIKey is JCIGNHJHHPGLNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H19N2O2S.ClHO4/c1-10-9-11(2)17(13(4)12(10)3)14-5-7-15(8-6-14)20(16,18)19;2-1(3,4)5/h5-9H,1-4H3,(H2,16,18,19);(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate?
4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate has a molecular weight of 390.85 g/mol, XLogP of -2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate is sourced from PubChem (CID 10572515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).