2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine

C18H23NO4S — CID 3273249

IUPAC2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine
SMILESCCOCCOc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C18H23NO4S/c1-5-22-10-11-23-18-17(14(3)12-15(4)19-18)24(20,21)16-9-7-6-8-13(16)2/h6-9,12H,5,10-11H2,1-4H3
InChIKeyFVSTUKYNKLKVDQ-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.25
Rot. Bonds7

About 2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine

2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine (PubChem CID 3273249) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine
PubChem CID3273249
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine
SMILESCCOCCOc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C18H23NO4S/c1-5-22-10-11-23-18-17(14(3)12-15(4)19-18)24(20,21)16-9-7-6-8-13(16)2/h6-9,12H,5,10-11H2,1-4H3
InChIKeyFVSTUKYNKLKVDQ-UHFFFAOYSA-N
XLogP3.25
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
The IUPAC name of 2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine (CID 3273249) is 2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine.
What is the SMILES notation for 2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
The canonical SMILES for 2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine is CCOCCOc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C.
What is the InChIKey of 2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
The InChIKey is FVSTUKYNKLKVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-5-22-10-11-23-18-17(14(3)12-15(4)19-18)24(20,21)16-9-7-6-8-13(16)2/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of 2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine has a molecular weight of 349.45 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine is sourced from PubChem (CID 3273249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).