1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide

C12H15FN2O4S — CID 168717109

IUPAC1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCOc1ccc(N2CC(S(N)(=O)=O)CC2=O)c(F)c1
InChIInChI=1S/C12H15FN2O4S/c1-2-19-8-3-4-11(10(13)5-8)15-7-9(6-12(15)16)20(14,17)18/h3-5,9H,2,6-7H2,1H3,(H2,14,17,18)
InChIKeyUYXOPPSAMFNOCQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.62
Rot. Bonds4

About 1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide

1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717109) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717109
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCOc1ccc(N2CC(S(N)(=O)=O)CC2=O)c(F)c1
InChIInChI=1S/C12H15FN2O4S/c1-2-19-8-3-4-11(10(13)5-8)15-7-9(6-12(15)16)20(14,17)18/h3-5,9H,2,6-7H2,1H3,(H2,14,17,18)
InChIKeyUYXOPPSAMFNOCQ-UHFFFAOYSA-N
XLogP0.62
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717109) is 1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide is CCOc1ccc(N2CC(S(N)(=O)=O)CC2=O)c(F)c1.
What is the InChIKey of 1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is UYXOPPSAMFNOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-2-19-8-3-4-11(10(13)5-8)15-7-9(6-12(15)16)20(14,17)18/h3-5,9H,2,6-7H2,1H3,(H2,14,17,18).
What are the key properties of 1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 302.33 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).