4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride

C13H19ClO6S — CID 21477276

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride
SMILESCOCCOCCOCCOc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C13H19ClO6S/c1-17-6-7-18-8-9-19-10-11-20-12-2-4-13(5-3-12)21(14,15)16/h2-5H,6-11H2,1H3
InChIKeyMMLWGWNZNFOEHQ-UHFFFAOYSA-N
MW338.81 g/mol
LogP1.67
Rot. Bonds11

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride (PubChem CID 21477276) has the molecular formula C13H19ClO6S and a molecular weight of 338.81 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride
PubChem CID21477276
Molecular FormulaC13H19ClO6S
Molecular Weight338.81 g/mol
Exact Mass338.06
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride
SMILESCOCCOCCOCCOc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C13H19ClO6S/c1-17-6-7-18-8-9-19-10-11-20-12-2-4-13(5-3-12)21(14,15)16/h2-5H,6-11H2,1H3
InChIKeyMMLWGWNZNFOEHQ-UHFFFAOYSA-N
XLogP1.67
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride (CID 21477276) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride is COCCOCCOCCOc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride?
The InChIKey is MMLWGWNZNFOEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO6S/c1-17-6-7-18-8-9-19-10-11-20-12-2-4-13(5-3-12)21(14,15)16/h2-5H,6-11H2,1H3.
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride has a molecular weight of 338.81 g/mol, XLogP of 1.67, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 21477276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).