1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C11H13FN2O4S — CID 168713786

IUPAC1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCOc1ccc(N2CC(S(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C11H13FN2O4S/c1-2-18-10-4-3-8(6-13-10)14-7-9(5-11(14)15)19(12,16)17/h3-4,6,9H,2,5,7H2,1H3
InChIKeyWDJKABSFPGJTNX-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.88
Rot. Bonds4

About 1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713786) has the molecular formula C11H13FN2O4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713786
Molecular FormulaC11H13FN2O4S
Molecular Weight288.30 g/mol
Exact Mass288.06
IUPAC Name1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCOc1ccc(N2CC(S(=O)(=O)F)CC2=O)cn1
InChIInChI=1S/C11H13FN2O4S/c1-2-18-10-4-3-8(6-13-10)14-7-9(5-11(14)15)19(12,16)17/h3-4,6,9H,2,5,7H2,1H3
InChIKeyWDJKABSFPGJTNX-UHFFFAOYSA-N
XLogP0.88
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713785
1-(6-iodo-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715519
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713791
1-[4-(2-methoxyethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714015
1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714211
1-[4-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716006
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
tert-butyl 4-[5-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 168713473
1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717038
1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715421
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715991
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715472

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713786) is 1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is CCOc1ccc(N2CC(S(=O)(=O)F)CC2=O)cn1.
What is the InChIKey of 1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is WDJKABSFPGJTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4S/c1-2-18-10-4-3-8(6-13-10)14-7-9(5-11(14)15)19(12,16)17/h3-4,6,9H,2,5,7H2,1H3.
What are the key properties of 1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 288.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).