2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide

C17H15F4NO3S — CID 11538336

IUPAC2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide
SMILESCC(C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C17H15F4NO3S/c1-10(16(23)22-26(2,24)25)12-5-8-14(15(18)9-12)11-3-6-13(7-4-11)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyHORRTYAVJQBMGZ-UHFFFAOYSA-N
MW389.37 g/mol
LogP3.69
Rot. Bonds4

About 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide

2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide (PubChem CID 11538336) has the molecular formula C17H15F4NO3S and a molecular weight of 389.37 g/mol. Its IUPAC name is 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide
PubChem CID11538336
Molecular FormulaC17H15F4NO3S
Molecular Weight389.37 g/mol
Exact Mass389.07
IUPAC Name2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide
SMILESCC(C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C17H15F4NO3S/c1-10(16(23)22-26(2,24)25)12-5-8-14(15(18)9-12)11-3-6-13(7-4-11)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyHORRTYAVJQBMGZ-UHFFFAOYSA-N
XLogP3.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide?
The IUPAC name of 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide (CID 11538336) is 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide.
What is the SMILES notation for 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide?
The canonical SMILES for 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide is CC(C(=O)NS(C)(=O)=O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide?
The InChIKey is HORRTYAVJQBMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO3S/c1-10(16(23)22-26(2,24)25)12-5-8-14(15(18)9-12)11-3-6-13(7-4-11)17(19,20)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide?
2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide has a molecular weight of 389.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]-N-methylsulfonylpropanamide is sourced from PubChem (CID 11538336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).