1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C12H14FNO4S — CID 168713785

IUPAC1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCOc1ccc(N2CC(S(=O)(=O)F)CC2=O)cc1
InChIInChI=1S/C12H14FNO4S/c1-2-18-10-5-3-9(4-6-10)14-8-11(7-12(14)15)19(13,16)17/h3-6,11H,2,7-8H2,1H3
InChIKeyFSMHKYFUZJSKCA-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.49
Rot. Bonds4

About 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713785) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713785
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCOc1ccc(N2CC(S(=O)(=O)F)CC2=O)cc1
InChIInChI=1S/C12H14FNO4S/c1-2-18-10-5-3-9(4-6-10)14-8-11(7-12(14)15)19(13,16)17/h3-6,11H,2,7-8H2,1H3
InChIKeyFSMHKYFUZJSKCA-UHFFFAOYSA-N
XLogP1.49
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
1-[4-(2-methoxyethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714015
1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713786
1-[4-(4-bromophenoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715505
5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride
CID 168711179
1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714211
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713791
1-[4-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716006
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 16919630
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715991
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715472
1-[4-(2-methylsulfanylethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714210

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713785) is 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is CCOc1ccc(N2CC(S(=O)(=O)F)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is FSMHKYFUZJSKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c1-2-18-10-5-3-9(4-6-10)14-8-11(7-12(14)15)19(13,16)17/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 287.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).