2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate

C11H15ClO5S2 — CID 65375313

IUPAC2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
SMILESCCCOCCOC(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H15ClO5S2/c1-2-5-16-6-7-17-10(13)8-9-3-4-11(18-9)19(12,14)15/h3-4H,2,5-8H2,1H3
InChIKeyACRXHQXHJVSSJW-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.19
Rot. Bonds8

About 2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate

2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate (PubChem CID 65375313) has the molecular formula C11H15ClO5S2 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Name2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
PubChem CID65375313
Molecular FormulaC11H15ClO5S2
Molecular Weight326.82 g/mol
Exact Mass326.00
IUPAC Name2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
SMILESCCCOCCOC(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C11H15ClO5S2/c1-2-5-16-6-7-17-10(13)8-9-3-4-11(18-9)19(12,14)15/h3-4H,2,5-8H2,1H3
InChIKeyACRXHQXHJVSSJW-UHFFFAOYSA-N
XLogP2.19
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.19
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 2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The IUPAC name of 2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate (CID 65375313) is 2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate.
What is the SMILES notation for 2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The canonical SMILES for 2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate is CCCOCCOC(=O)Cc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The InChIKey is ACRXHQXHJVSSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO5S2/c1-2-5-16-6-7-17-10(13)8-9-3-4-11(18-9)19(12,14)15/h3-4H,2,5-8H2,1H3.
What are the key properties of 2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate?
2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate has a molecular weight of 326.82 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 65375313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).