3-(ethoxymethyl)benzenesulfonyl chloride

C9H11ClO3S — CID 62814685

IUPAC3-(ethoxymethyl)benzenesulfonyl chloride
SMILESCCOCc1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H11ClO3S/c1-2-13-7-8-4-3-5-9(6-8)14(10,11)12/h3-6H,2,7H2,1H3
InChIKeyLZBJJNKGUOZJLT-UHFFFAOYSA-N
MW234.70 g/mol
LogP2.15
Rot. Bonds4

About 3-(ethoxymethyl)benzenesulfonyl chloride

3-(ethoxymethyl)benzenesulfonyl chloride (PubChem CID 62814685) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 3-(ethoxymethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(ethoxymethyl)benzenesulfonyl chloride
PubChem CID62814685
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name3-(ethoxymethyl)benzenesulfonyl chloride
SMILESCCOCc1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H11ClO3S/c1-2-13-7-8-4-3-5-9(6-8)14(10,11)12/h3-6H,2,7H2,1H3
InChIKeyLZBJJNKGUOZJLT-UHFFFAOYSA-N
XLogP2.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)benzenesulfonyl chloride?
The IUPAC name of 3-(ethoxymethyl)benzenesulfonyl chloride (CID 62814685) is 3-(ethoxymethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(ethoxymethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-(ethoxymethyl)benzenesulfonyl chloride is CCOCc1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-(ethoxymethyl)benzenesulfonyl chloride?
The InChIKey is LZBJJNKGUOZJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-2-13-7-8-4-3-5-9(6-8)14(10,11)12/h3-6H,2,7H2,1H3.
What are the key properties of 3-(ethoxymethyl)benzenesulfonyl chloride?
3-(ethoxymethyl)benzenesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)benzenesulfonyl chloride is sourced from PubChem (CID 62814685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).