7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide

C11H11ClO3S — CID 117183095

IUPAC7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide
SMILESCCOCC1=Cc2cccc(Cl)c2S1(=O)=O
InChIInChI=1S/C11H11ClO3S/c1-2-15-7-9-6-8-4-3-5-10(12)11(8)16(9,13)14/h3-6H,2,7H2,1H3
InChIKeyUIUXHFZDLFULKL-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.50
Rot. Bonds3

About 7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide

7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide (PubChem CID 117183095) has the molecular formula C11H11ClO3S and a molecular weight of 258.73 g/mol. Its IUPAC name is 7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide
PubChem CID117183095
Molecular FormulaC11H11ClO3S
Molecular Weight258.73 g/mol
Exact Mass258.01
IUPAC Name7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide
SMILESCCOCC1=Cc2cccc(Cl)c2S1(=O)=O
InChIInChI=1S/C11H11ClO3S/c1-2-15-7-9-6-8-4-3-5-10(12)11(8)16(9,13)14/h3-6H,2,7H2,1H3
InChIKeyUIUXHFZDLFULKL-UHFFFAOYSA-N
XLogP2.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide?
The IUPAC name of 7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide (CID 117183095) is 7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide is CCOCC1=Cc2cccc(Cl)c2S1(=O)=O.
What is the InChIKey of 7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide?
The InChIKey is UIUXHFZDLFULKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3S/c1-2-15-7-9-6-8-4-3-5-10(12)11(8)16(9,13)14/h3-6H,2,7H2,1H3.
What are the key properties of 7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide?
7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide has a molecular weight of 258.73 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(ethoxymethyl)-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 117183095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).