5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one

C15H16F3NO4S — CID 54433546

IUPAC5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)C=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO4S/c1-2-23-14-7-6-13(20)19(14)24(21,22)9-8-11-4-3-5-12(10-11)15(16,17)18/h3-5,8-10,14H,2,6-7H2,1H3
InChIKeyWJEIAQBMQDKBKH-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.99
Rot. Bonds5

About 5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one

5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one (PubChem CID 54433546) has the molecular formula C15H16F3NO4S and a molecular weight of 363.36 g/mol. Its IUPAC name is 5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one
PubChem CID54433546
Molecular FormulaC15H16F3NO4S
Molecular Weight363.36 g/mol
Exact Mass363.08
IUPAC Name5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)C=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO4S/c1-2-23-14-7-6-13(20)19(14)24(21,22)9-8-11-4-3-5-12(10-11)15(16,17)18/h3-5,8-10,14H,2,6-7H2,1H3
InChIKeyWJEIAQBMQDKBKH-UHFFFAOYSA-N
XLogP2.99
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one?
The IUPAC name of 5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one (CID 54433546) is 5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one is CCOC1CCC(=O)N1S(=O)(=O)C=Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one?
The InChIKey is WJEIAQBMQDKBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO4S/c1-2-23-14-7-6-13(20)19(14)24(21,22)9-8-11-4-3-5-12(10-11)15(16,17)18/h3-5,8-10,14H,2,6-7H2,1H3.
What are the key properties of 5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one?
5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one has a molecular weight of 363.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-[2-[3-(trifluoromethyl)phenyl]ethenylsulfonyl]pyrrolidin-2-one is sourced from PubChem (CID 54433546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).