2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide

C17H14F6N2O3S — CID 1336235

IUPAC2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F6N2O3S/c1-29(27,28)25(12-6-4-5-11(9-12)16(18,19)20)10-15(26)24-14-8-3-2-7-13(14)17(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyUTFKPCGZVWBZOC-UHFFFAOYSA-N
MW440.37 g/mol
LogP4.13
Rot. Bonds5

About 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1336235) has the molecular formula C17H14F6N2O3S and a molecular weight of 440.37 g/mol. Its IUPAC name is 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID1336235
Molecular FormulaC17H14F6N2O3S
Molecular Weight440.37 g/mol
Exact Mass440.06
IUPAC Name2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F6N2O3S/c1-29(27,28)25(12-6-4-5-11(9-12)16(18,19)20)10-15(26)24-14-8-3-2-7-13(14)17(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyUTFKPCGZVWBZOC-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3296001
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-1-ylacetamide
CID 30168878
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzoic acid
CID 1265964
N-(2,3-dimethylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1317874
N-(2-methylpropyl)-2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 1316764
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 1316081
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43899593
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1144938
2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2279954
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 126128608
N-(2-methoxy-5-methylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 1019072
N-(2-methyl-5-nitrophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 21372296

Frequently Asked Questions

What is the IUPAC name of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 1336235) is 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UTFKPCGZVWBZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O3S/c1-29(27,28)25(12-6-4-5-11(9-12)16(18,19)20)10-15(26)24-14-8-3-2-7-13(14)17(21,22)23/h2-9H,10H2,1H3,(H,24,26).
What are the key properties of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 440.37 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1336235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).