2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide

C15H13F4NO3S — CID 90518572

IUPAC2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO3S/c16-12-3-7-14(8-4-12)23-9-10-24(21,22)20-13-5-1-11(2-6-13)15(17,18)19/h1-8,20H,9-10H2
InChIKeyWFYLCBLFPSKYOY-UHFFFAOYSA-N
MW363.33 g/mol
LogP3.67
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide

2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 90518572) has the molecular formula C15H13F4NO3S and a molecular weight of 363.33 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID90518572
Molecular FormulaC15H13F4NO3S
Molecular Weight363.33 g/mol
Exact Mass363.06
IUPAC Name2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO3S/c16-12-3-7-14(8-4-12)23-9-10-24(21,22)20-13-5-1-11(2-6-13)15(17,18)19/h1-8,20H,9-10H2
InChIKeyWFYLCBLFPSKYOY-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518586
4-[2-(4-fluorophenoxy)ethylsulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 90518562
2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]ethanesulfonamide
CID 90518653
2-(4-fluorophenoxy)-N-(6-methoxy-3-pyridinyl)ethanesulfonamide
CID 110301907
N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 110618586
2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide
CID 110299951
2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide
CID 90518656
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 83093168
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide
CID 90518166
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 121107548
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 110309069

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide (CID 90518572) is 2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide is O=S(=O)(CCOc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is WFYLCBLFPSKYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO3S/c16-12-3-7-14(8-4-12)23-9-10-24(21,22)20-13-5-1-11(2-6-13)15(17,18)19/h1-8,20H,9-10H2.
What are the key properties of 2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide?
2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 363.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 90518572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).