Ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate

Name: Ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₂ClNO₅S₂ — CID 168711221

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate

SMILESCCOC(=O)c1sccc1N1CC(S(=O)(=O)Cl)CC1=O

InChIInChI=1S/C11H12ClNO5S2/c1-2-18-11(15)10-8(3-4-19-10)13-6-7(5-9(13)14)20(12,16)17/h3-4,7H,2,5-6H2,1H3

InChIKeyVKNDOABNFNIHHE-UHFFFAOYSA-N

MW337.81 g/mol

LogP1.60

Rot. Bonds4

About Ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate

Ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate (PubChem CID 168711221) has the molecular formula C₁₁H₁₂ClNO₅S₂ and a molecular weight of 337.81 g/mol. Its IUPAC name is ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Name	Ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate
PubChem CID	168711221
Molecular Formula	C₁₁H₁₂ClNO₅S₂
Molecular Weight	337.81 g/mol
Exact Mass	336.98
IUPAC Name	ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate
SMILES	CCOC(=O)c1sccc1N1CC(S(=O)(=O)Cl)CC1=O
InChI	InChI=1S/C11H12ClNO5S2/c1-2-18-11(15)10-8(3-4-19-10)13-6-7(5-9(13)14)20(12,16)17/h3-4,7H,2,5-6H2,1H3
InChIKey	VKNDOABNFNIHHE-UHFFFAOYSA-N
XLogP	1.60
TPSA	80.75 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.81
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate?

The IUPAC name of Ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate (CID 168711221) is ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate.

What is the SMILES notation for Ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate?

The canonical SMILES for Ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate is CCOC(=O)c1sccc1N1CC(S(=O)(=O)Cl)CC1=O.

What is the InChIKey of Ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate?

The InChIKey is VKNDOABNFNIHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO5S2/c1-2-18-11(15)10-8(3-4-19-10)13-6-7(5-9(13)14)20(12,16)17/h3-4,7H,2,5-6H2,1H3.

What are the key properties of Ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate?

Ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate has a molecular weight of 337.81 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate is sourced from PubChem (CID 168711221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 168711221 — identifiers, structure, computed properties (public domain)

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