2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate

C10H10F3NO4S — CID 2801012

IUPAC2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate
SMILESCC(=O)OCCS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3NO4S/c1-7(15)18-4-5-19(16,17)9-3-2-8(6-14-9)10(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeyHNZSEFLDZXFAQV-UHFFFAOYSA-N
MW297.25 g/mol
LogP1.44
Rot. Bonds4

About 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate

2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate (PubChem CID 2801012) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate
PubChem CID2801012
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate
SMILESCC(=O)OCCS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3NO4S/c1-7(15)18-4-5-19(16,17)9-3-2-8(6-14-9)10(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeyHNZSEFLDZXFAQV-UHFFFAOYSA-N
XLogP1.44
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate?
The IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate (CID 2801012) is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate?
The canonical SMILES for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate is CC(=O)OCCS(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate?
The InChIKey is HNZSEFLDZXFAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S/c1-7(15)18-4-5-19(16,17)9-3-2-8(6-14-9)10(11,12)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate?
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate has a molecular weight of 297.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl acetate is sourced from PubChem (CID 2801012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).