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

C10H11F3N2O3S — CID 846665

IUPAC2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O3S/c1-19(17,18)15(6-9(14)16)8-4-2-3-7(5-8)10(11,12)13/h2-5H,6H2,1H3,(H2,14,16)
InChIKeyDAMSSSDKLAKYIL-UHFFFAOYSA-N
MW296.27 g/mol
LogP0.96
Rot. Bonds4

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

2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 846665) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID846665
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O3S/c1-19(17,18)15(6-9(14)16)8-4-2-3-7(5-8)10(11,12)13/h2-5H,6H2,1H3,(H2,14,16)
InChIKeyDAMSSSDKLAKYIL-UHFFFAOYSA-N
XLogP0.96
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 846665) is 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is CS(=O)(=O)N(CC(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is DAMSSSDKLAKYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-19(17,18)15(6-9(14)16)8-4-2-3-7(5-8)10(11,12)13/h2-5H,6H2,1H3,(H2,14,16).
What are the key properties of 2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 296.27 g/mol, XLogP of 0.96, 4 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]acetamide is sourced from PubChem (CID 846665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).