2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide

C16H16F3NO3S — CID 90518914

IUPAC2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H16F3NO3S/c1-2-11-3-5-12(6-4-11)23-9-10-24(21,22)20-14-8-7-13(17)15(18)16(14)19/h3-8,20H,2,9-10H2,1H3
InChIKeyQXVMNEKPOIOXHG-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.49
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide

2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide (PubChem CID 90518914) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide
PubChem CID90518914
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC Name2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H16F3NO3S/c1-2-11-3-5-12(6-4-11)23-9-10-24(21,22)20-14-8-7-13(17)15(18)16(14)19/h3-8,20H,2,9-10H2,1H3
InChIKeyQXVMNEKPOIOXHG-UHFFFAOYSA-N
XLogP3.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518736
2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide
CID 90518830
1-[2-(4-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112972178
2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 9095297
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518737
N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518723
2-(4-ethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 90518762
methyl 3-[4-[(2,3,4-trifluorophenyl)sulfamoyl]phenoxy]propanoate
CID 47062697
2-(4-ethylphenoxy)-N-(3-nitrophenyl)ethanesulfonamide
CID 90518747
2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide
CID 90518656
N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide
CID 125497927
N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide
CID 53419003

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide (CID 90518914) is 2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide is CCc1ccc(OCCS(=O)(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide?
The InChIKey is QXVMNEKPOIOXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c1-2-11-3-5-12(6-4-11)23-9-10-24(21,22)20-14-8-7-13(17)15(18)16(14)19/h3-8,20H,2,9-10H2,1H3.
What are the key properties of 2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide?
2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide is sourced from PubChem (CID 90518914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).