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

C11H12ClNO5S2 — CID 168711221

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 Nameethyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)thiophene-2-carboxylate
PubChem CID168711221
Molecular FormulaC11H12ClNO5S2
Molecular Weight337.81 g/mol
Exact Mass336.98
IUPAC Nameethyl 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
XLogP1.60
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 168711235
ethyl 5-fluoro-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoate
CID 168713737
methyl 3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]thiophene-2-carboxylate
CID 168656324
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711191
1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711676
ethyl 5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-6-methylpyridine-3-carboxylate
CID 168713761
1-(2-bromo-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711701
ethyl 2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]thiophene-3-carboxylate
CID 168669845
methyl 4-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)-3,5-dimethylbenzoate
CID 168711830
ethyl 4-[4-(chlorosulfonylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168672815
methyl 5-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)furan-2-carboxylate
CID 168711410

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).