2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide

C18H31N2O3S+ — CID 3487220

IUPAC2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1
InChIInChI=1S/C18H30N2O3S/c1-12-8-15(23-7)16(9-13(12)2)24(21,22)19-14-10-17(3,4)20-18(5,6)11-14/h8-9,14,19-20H,10-11H2,1-7H3/p+1
InChIKeyJYUDKGJJUWHIIA-UHFFFAOYSA-O
MW355.52 g/mol
LogP1.87
Rot. Bonds4

About 2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide

2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide (PubChem CID 3487220) has the molecular formula C18H31N2O3S+ and a molecular weight of 355.52 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
PubChem CID3487220
Molecular FormulaC18H31N2O3S+
Molecular Weight355.52 g/mol
Exact Mass355.20
IUPAC Name2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1
InChIInChI=1S/C18H30N2O3S/c1-12-8-15(23-7)16(9-13(12)2)24(21,22)19-14-10-17(3,4)20-18(5,6)11-14/h8-9,14,19-20H,10-11H2,1-7H3/p+1
InChIKeyJYUDKGJJUWHIIA-UHFFFAOYSA-O
XLogP1.87
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide with MolForge

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Related Compounds

5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 7290362
2-ethoxy-5-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 7450668
5-amino-N-(3,3-dimethylcyclopentyl)-2-methoxy-4-methylbenzenesulfonamide
CID 114542964
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
2-methyl-5-nitro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 8721914
2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736595
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
2,4-diethoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide
CID 8721975
4-bromo-2,5-dimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 2211941
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
5-iodo-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 91670076
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide (CID 3487220) is 2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
The InChIKey is JYUDKGJJUWHIIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H30N2O3S/c1-12-8-15(23-7)16(9-13(12)2)24(21,22)19-14-10-17(3,4)20-18(5,6)11-14/h8-9,14,19-20H,10-11H2,1-7H3/p+1.
What are the key properties of 2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide has a molecular weight of 355.52 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzenesulfonamide is sourced from PubChem (CID 3487220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).