N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide

C15H19N2O3S+ — CID 102506391

IUPACN-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c[n+](C)c(C)cc2C)cc1
InChIInChI=1S/C15H19N2O3S/c1-11-9-12(2)17(3)10-15(11)21(18,19)16-13-5-7-14(20-4)8-6-13/h5-10,16H,1-4H3/q+1
InChIKeyNUPHONXNKQJJGN-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.94
Rot. Bonds4

About N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide

N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide (PubChem CID 102506391) has the molecular formula C15H19N2O3S+ and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide
PubChem CID102506391
Molecular FormulaC15H19N2O3S+
Molecular Weight307.40 g/mol
Exact Mass307.11
IUPAC NameN-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c[n+](C)c(C)cc2C)cc1
InChIInChI=1S/C15H19N2O3S/c1-11-9-12(2)17(3)10-15(11)21(18,19)16-13-5-7-14(20-4)8-6-13/h5-10,16H,1-4H3/q+1
InChIKeyNUPHONXNKQJJGN-UHFFFAOYSA-N
XLogP1.94
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(4-methoxyphenyl)-4,6-dimethylpyridin-1-ium-3-sulfonamide
CID 102506396
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857
N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758941
N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 53092083
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796
5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 28717561
2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25046641
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide (CID 102506391) is N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide is COc1ccc(NS(=O)(=O)c2c[n+](C)c(C)cc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide?
The InChIKey is NUPHONXNKQJJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N2O3S/c1-11-9-12(2)17(3)10-15(11)21(18,19)16-13-5-7-14(20-4)8-6-13/h5-10,16H,1-4H3/q+1.
What are the key properties of N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide?
N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide is sourced from PubChem (CID 102506391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).