2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

C16H15F3N2O3S — CID 3296001

IUPAC2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15F3N2O3S/c1-25(23,24)21(12-7-3-2-4-8-12)11-15(22)20-14-10-6-5-9-13(14)16(17,18)19/h2-10H,11H2,1H3,(H,20,22)
InChIKeyIKKMYPLXUTYFQF-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.11
Rot. Bonds5

About 2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 3296001) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID3296001
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15F3N2O3S/c1-25(23,24)21(12-7-3-2-4-8-12)11-15(22)20-14-10-6-5-9-13(14)16(17,18)19/h2-10H,11H2,1H3,(H,20,22)
InChIKeyIKKMYPLXUTYFQF-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2279954
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1336235
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2712087
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1144938
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1252073
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1333886
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1321054
2-[2-methylpropyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113148570
2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzoic acid
CID 1265964

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 3296001) is 2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IKKMYPLXUTYFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-25(23,24)21(12-7-3-2-4-8-12)11-15(22)20-14-10-6-5-9-13(14)16(17,18)19/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of 2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 372.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3296001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).