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

C15H13F4NO4S — CID 90518656

IUPAC2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H13F4NO4S/c16-11-5-7-12(8-6-11)23-9-10-25(21,22)20-13-3-1-2-4-14(13)24-15(17,18)19/h1-8,20H,9-10H2
InChIKeyNLJMFDCBEGVYLC-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.55
Rot. Bonds7

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

2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide (PubChem CID 90518656) has the molecular formula C15H13F4NO4S and a molecular weight of 379.33 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide
PubChem CID90518656
Molecular FormulaC15H13F4NO4S
Molecular Weight379.33 g/mol
Exact Mass379.05
IUPAC Name2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H13F4NO4S/c16-11-5-7-12(8-6-11)23-9-10-25(21,22)20-13-3-1-2-4-14(13)24-15(17,18)19/h1-8,20H,9-10H2
InChIKeyNLJMFDCBEGVYLC-UHFFFAOYSA-N
XLogP3.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide 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-phenoxy-N-(2-phenoxyphenyl)ethanesulfonamide
CID 90518283
3-methyl-N-[2-(trifluoromethoxy)phenyl]butane-1-sulfonamide
CID 56532305
2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 90518572
N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 167883293
N-(2,1,3-benzothiadiazol-4-yl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518643
N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518586
N-(2-tert-butylsulfonylethyl)-2-(trifluoromethoxy)aniline
CID 106723035
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide
CID 90518426
N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518568
2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide
CID 110299951
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-(2-cyano-4-nitrophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518616

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide (CID 90518656) is 2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide is O=S(=O)(CCOc1ccc(F)cc1)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide?
The InChIKey is NLJMFDCBEGVYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO4S/c16-11-5-7-12(8-6-11)23-9-10-25(21,22)20-13-3-1-2-4-14(13)24-15(17,18)19/h1-8,20H,9-10H2.
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide?
2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide has a molecular weight of 379.33 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 90518656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).