N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

C15H13F4NO2S — CID 9301017

IUPACN-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO2S/c16-14-4-2-1-3-11(14)9-10-20-23(21,22)13-7-5-12(6-8-13)15(17,18)19/h1-8,20H,9-10H2
InChIKeyNUEAXNYVURGLRY-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 9301017) has the molecular formula C15H13F4NO2S and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID9301017
Molecular FormulaC15H13F4NO2S
Molecular Weight347.33 g/mol
Exact Mass347.06
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO2S/c16-14-4-2-1-3-11(14)9-10-20-23(21,22)13-7-5-12(6-8-13)15(17,18)19/h1-8,20H,9-10H2
InChIKeyNUEAXNYVURGLRY-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 18190650
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 35613709
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 3778780
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745
N-[2-(2-fluorophenyl)ethyl]-4-(pentylsulfamoyl)benzamide
CID 109061034
4-[2-(dimethylamino)ethylsulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 109060145
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8643100
4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 110758068

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 9301017) is N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccc1F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NUEAXNYVURGLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO2S/c16-14-4-2-1-3-11(14)9-10-20-23(21,22)13-7-5-12(6-8-13)15(17,18)19/h1-8,20H,9-10H2.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 347.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 9301017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).