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

C10H10F3NO4S — CID 2800626

IUPACethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
SMILESCCOC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3NO4S/c1-2-18-9(15)6-19(16,17)8-4-3-7(5-14-8)10(11,12)13/h3-5H,2,6H2,1H3
InChIKeyPGEPATXNFACSGZ-UHFFFAOYSA-N
MW297.25 g/mol
LogP1.44
Rot. Bonds4

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

ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate (PubChem CID 2800626) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
PubChem CID2800626
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC Nameethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
SMILESCCOC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3NO4S/c1-2-18-9(15)6-19(16,17)8-4-3-7(5-14-8)10(11,12)13/h3-5H,2,6H2,1H3
InChIKeyPGEPATXNFACSGZ-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 ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

2-{[2-(Phenylsulfonyl)ethyl]thio}-5-(trifluoromethyl)pyridine
CID 2820396
Ethyl 2-(pyridin-2-ylthio)acetate
CID 6464675
2-{[5-(Trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
CID 706722
2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetic Acid
CID 1479640
2-({2-[(4-Methylphenyl)sulfonyl]ethyl}thio)-5-(trifluoromethyl)pyridine
CID 2820397
2-(Benzenesulfonyl)-5-(trifluoromethyl)pyridine
CID 2446951
1-Ethoxy-3-(2-pyridinylsulfonyl)-2-propanol
CID 2842752
Ethyl 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfonyl}propanoate
CID 3775621
2-methyl-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]propanamide
CID 127039435
2,2-dimethyl-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]propanamide
CID 127042660
Pyridine, 2-benzylsulfonyl-5-trifluoromethyl-
CID 561443
2-[(4-Methylphenyl)methylsulfonyl]-5-(trifluoromethyl)pyridine
CID 2744962

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate?
The IUPAC name of ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate (CID 2800626) is ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate.
What is the SMILES notation for ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate?
The canonical SMILES for ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate is CCOC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate?
The InChIKey is PGEPATXNFACSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S/c1-2-18-9(15)6-19(16,17)8-4-3-7(5-14-8)10(11,12)13/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate?
ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]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 ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate is sourced from PubChem (CID 2800626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).