2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide

C11H13F3N2O3S — CID 81174567

IUPAC2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H13F3N2O3S/c1-16(2)10(17)6-20(18,19)9-4-3-7(5-8(9)15)11(12,13)14/h3-5H,6,15H2,1-2H3
InChIKeyJZMMLKWUFMYPBF-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.15
Rot. Bonds3

About 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide

2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide (PubChem CID 81174567) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide
PubChem CID81174567
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H13F3N2O3S/c1-16(2)10(17)6-20(18,19)9-4-3-7(5-8(9)15)11(12,13)14/h3-5H,6,15H2,1-2H3
InChIKeyJZMMLKWUFMYPBF-UHFFFAOYSA-N
XLogP1.15
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide (CID 81174567) is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide?
The InChIKey is JZMMLKWUFMYPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-16(2)10(17)6-20(18,19)9-4-3-7(5-8(9)15)11(12,13)14/h3-5H,6,15H2,1-2H3.
What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide?
2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide has a molecular weight of 310.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N,N-dimethylacetamide is sourced from PubChem (CID 81174567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).