4-ethoxybenzenesulfonyl chloride

C8H9ClO3S — CID 3688334

IUPAC4-ethoxybenzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H9ClO3S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3
InChIKeyXIWSSFMVSKKXRJ-UHFFFAOYSA-N
MW220.68 g/mol
LogP2.01
Rot. Bonds3

About 4-ethoxybenzenesulfonyl chloride

4-ethoxybenzenesulfonyl chloride (PubChem CID 3688334) has the molecular formula C8H9ClO3S and a molecular weight of 220.68 g/mol. Its IUPAC name is 4-ethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-ethoxybenzenesulfonyl chloride
PubChem CID3688334
Molecular FormulaC8H9ClO3S
Molecular Weight220.68 g/mol
Exact Mass220.00
IUPAC Name4-ethoxybenzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H9ClO3S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3
InChIKeyXIWSSFMVSKKXRJ-UHFFFAOYSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxybenzenesulfonyl chloride?
The IUPAC name of 4-ethoxybenzenesulfonyl chloride (CID 3688334) is 4-ethoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-ethoxybenzenesulfonyl chloride?
The canonical SMILES for 4-ethoxybenzenesulfonyl chloride is CCOc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-ethoxybenzenesulfonyl chloride?
The InChIKey is XIWSSFMVSKKXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO3S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3.
What are the key properties of 4-ethoxybenzenesulfonyl chloride?
4-ethoxybenzenesulfonyl chloride has a molecular weight of 220.68 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybenzenesulfonyl chloride is sourced from PubChem (CID 3688334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).