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

C15H19ClN2O5S — CID 24993990

IUPAC4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate
SMILESCc1cc(C)[n+](-c2ccc(S(N)(=O)=O)cc2)c(C)c1C.[O-][Cl+2]([O-])[O-]
InChIInChI=1S/C15H19N2O2S.ClO3/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/h5-9H,1-4H3,(H2,16,18,19);/q+1;-1
InChIKeyLRURSMGUTMALOT-UHFFFAOYSA-N
MW374.85 g/mol
LogP-1.72
Rot. Bonds2

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

4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate (PubChem CID 24993990) has the molecular formula C15H19ClN2O5S and a molecular weight of 374.85 g/mol. Its IUPAC name is 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate.

Molecular Properties

Compound Name4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate
PubChem CID24993990
Molecular FormulaC15H19ClN2O5S
Molecular Weight374.85 g/mol
Exact Mass374.07
IUPAC Name4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate
SMILESCc1cc(C)[n+](-c2ccc(S(N)(=O)=O)cc2)c(C)c1C.[O-][Cl+2]([O-])[O-]
InChIInChI=1S/C15H19N2O2S.ClO3/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/h5-9H,1-4H3,(H2,16,18,19);/q+1;-1
InChIKeyLRURSMGUTMALOT-UHFFFAOYSA-N
XLogP-1.72
TPSA133.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,3,4,6-tetramethylpyridin-1-ium-1-yl)methyl]benzenesulfonamide
CID 10716241
4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]benzenesulfonamide chlorate
CID 24993673
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
5-[4-(2,4,6-trimethylpyridin-1-ium-1-yl)phenyl]sulfonyl-1,3,4-thiadiazole-2-sulfonamide
CID 100967625
4-[(2,4-dimethyl-6-propan-2-ylpyridin-1-ium-1-yl)methyl]benzenesulfonamide chlorate
CID 24993992
6-methyl-1-oxidopyridin-1-ium-3-sulfonamide
CID 45080606
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
4-(2,4-diphenyl-6-propylpyridin-1-ium-1-yl)benzenesulfonamide perchlorate
CID 10768529
4-[[4-methyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonamide chlorate
CID 24993993
4-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide
CID 131866517
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate?
The IUPAC name of 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate (CID 24993990) is 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate.
What is the SMILES notation for 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate?
The canonical SMILES for 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate is Cc1cc(C)[n+](-c2ccc(S(N)(=O)=O)cc2)c(C)c1C.[O-][Cl+2]([O-])[O-].
What is the InChIKey of 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate?
The InChIKey is LRURSMGUTMALOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N2O2S.ClO3/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/h5-9H,1-4H3,(H2,16,18,19);/q+1;-1.
What are the key properties of 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate?
4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate has a molecular weight of 374.85 g/mol, XLogP of -1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,6-tetramethylpyridin-1-ium-1-yl)benzenesulfonamide chlorate is sourced from PubChem (CID 24993990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).