2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride

C12H18ClNO4S — CID 103176066

IUPAC2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride
SMILESCCc1nc(C)ccc1OCCOCCS(=O)(=O)Cl
InChIInChI=1S/C12H18ClNO4S/c1-3-11-12(5-4-10(2)14-11)18-7-6-17-8-9-19(13,15)16/h4-5H,3,6-9H2,1-2H3
InChIKeyFUTHOCMKWIANOY-UHFFFAOYSA-N
MW307.80 g/mol
LogP1.92
Rot. Bonds8

About 2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride

2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride (PubChem CID 103176066) has the molecular formula C12H18ClNO4S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride
PubChem CID103176066
Molecular FormulaC12H18ClNO4S
Molecular Weight307.80 g/mol
Exact Mass307.06
IUPAC Name2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride
SMILESCCc1nc(C)ccc1OCCOCCS(=O)(=O)Cl
InChIInChI=1S/C12H18ClNO4S/c1-3-11-12(5-4-10(2)14-11)18-7-6-17-8-9-19(13,15)16/h4-5H,3,6-9H2,1-2H3
InChIKeyFUTHOCMKWIANOY-UHFFFAOYSA-N
XLogP1.92
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine
CID 99831600
2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine
CID 106454021
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559
2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine
CID 79169208
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
CID 103174229
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 103175707
3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine
CID 103174565
2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106454022
N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158766
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride?
The IUPAC name of 2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride (CID 103176066) is 2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride.
What is the SMILES notation for 2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride?
The canonical SMILES for 2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride is CCc1nc(C)ccc1OCCOCCS(=O)(=O)Cl.
What is the InChIKey of 2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride?
The InChIKey is FUTHOCMKWIANOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO4S/c1-3-11-12(5-4-10(2)14-11)18-7-6-17-8-9-19(13,15)16/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride?
2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride has a molecular weight of 307.80 g/mol, XLogP of 1.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride is sourced from PubChem (CID 103176066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).