4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide

C15H18F3NO4S — CID 118434300

IUPAC4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide
SMILESCCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(C(N)=O)C1
InChIInChI=1S/C15H18F3NO4S/c1-2-14(6-7-23-12(9-14)13(19)20)24(21,22)11-5-3-4-10(8-11)15(16,17)18/h3-5,8,12H,2,6-7,9H2,1H3,(H2,19,20)
InChIKeyGCUQQGQUAJDWLN-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.29
Rot. Bonds4

About 4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide

4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide (PubChem CID 118434300) has the molecular formula C15H18F3NO4S and a molecular weight of 365.37 g/mol. Its IUPAC name is 4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide
PubChem CID118434300
Molecular FormulaC15H18F3NO4S
Molecular Weight365.37 g/mol
Exact Mass365.09
IUPAC Name4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide
SMILESCCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(C(N)=O)C1
InChIInChI=1S/C15H18F3NO4S/c1-2-14(6-7-23-12(9-14)13(19)20)24(21,22)11-5-3-4-10(8-11)15(16,17)18/h3-5,8,12H,2,6-7,9H2,1H3,(H2,19,20)
InChIKeyGCUQQGQUAJDWLN-UHFFFAOYSA-N
XLogP2.29
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide 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

4-methyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydro-2H-pyran-2-carboxamide
CID 118434219
N'-(2,2-difluoroacetyl)-4-methyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydro-2H-pyran-2-carbohydrazide
CID 118434221
N'-isobutyryl-4-methyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydro-2H-pyran-2-carbohydrazide
CID 118434319
4-methyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)tetrahydro-2H-pyran-2-carbohydrazide
CID 118434353
4-methyl-N'-(2,2,2-trifluoroacetyl)-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carbohydrazide
CID 118434381
N'-(cyclopropanecarbonyl)-4-methyl-4-((3-(trifluoromethyl)-phenyl)sulfonyl)tetrahydro-2H-pyran-2-carbohydrazide
CID 118434383
4-Ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carbohydrazide
CID 118434409
4-ethyl-N'-(2,2,2-trifluoroacetyl)-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carbohydrazide
CID 118448419
N'-(2,2-difluoroacetyl)-4-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carbohydrazide
CID 118456564
4-ethyl-N-[(Z)-N-hydroxy-C-(trifluoromethyl)carbonimidoyl]-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide
CID 136934167
4-methyl-N'-propan-2-yl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carbohydrazide
CID 142734754
2-Amino-2-(4-fluoro-3-methylphenyl)sulfonyl-2-(oxan-2-yl)acetamide
CID 142837236

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide?
The IUPAC name of 4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide (CID 118434300) is 4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide.
What is the SMILES notation for 4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide?
The canonical SMILES for 4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide is CCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(C(N)=O)C1.
What is the InChIKey of 4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide?
The InChIKey is GCUQQGQUAJDWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO4S/c1-2-14(6-7-23-12(9-14)13(19)20)24(21,22)11-5-3-4-10(8-11)15(16,17)18/h3-5,8,12H,2,6-7,9H2,1H3,(H2,19,20).
What are the key properties of 4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide?
4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane-2-carboxamide is sourced from PubChem (CID 118434300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).