4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide

C19H19N2O2S+ — CID 10836787

IUPAC4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide
SMILESCc1cc(-c2ccccc2)cc(C)[n+]1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H19N2O2S/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)21(14)18-8-10-19(11-9-18)24(20,22)23/h3-13H,1-2H3,(H2,20,22,23)/q+1
InChIKeyZMWQBWHUMLFNIW-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.89
Rot. Bonds3

About 4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide

4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide (PubChem CID 10836787) has the molecular formula C19H19N2O2S+ and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide
PubChem CID10836787
Molecular FormulaC19H19N2O2S+
Molecular Weight339.44 g/mol
Exact Mass339.12
IUPAC Name4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide
SMILESCc1cc(-c2ccccc2)cc(C)[n+]1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H19N2O2S/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)21(14)18-8-10-19(11-9-18)24(20,22)23/h3-13H,1-2H3,(H2,20,22,23)/q+1
InChIKeyZMWQBWHUMLFNIW-UHFFFAOYSA-N
XLogP2.89
TPSA64.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide?
The IUPAC name of 4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide (CID 10836787) is 4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide is Cc1cc(-c2ccccc2)cc(C)[n+]1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide?
The InChIKey is ZMWQBWHUMLFNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2O2S/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)21(14)18-8-10-19(11-9-18)24(20,22)23/h3-13H,1-2H3,(H2,20,22,23)/q+1.
What are the key properties of 4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide?
4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide has a molecular weight of 339.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)benzenesulfonamide is sourced from PubChem (CID 10836787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).