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

C11H13F3N2O3S — CID 81174568

IUPAC2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide
SMILESCCNC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H13F3N2O3S/c1-2-16-10(17)6-20(18,19)9-4-3-7(5-8(9)15)11(12,13)14/h3-5H,2,6,15H2,1H3,(H,16,17)
InChIKeyJZGGQBIFIHUDKK-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.20
Rot. Bonds4

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

2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide (PubChem CID 81174568) 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-ethylacetamide.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide
PubChem CID81174568
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide
SMILESCCNC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H13F3N2O3S/c1-2-16-10(17)6-20(18,19)9-4-3-7(5-8(9)15)11(12,13)14/h3-5H,2,6,15H2,1H3,(H,16,17)
InChIKeyJZGGQBIFIHUDKK-UHFFFAOYSA-N
XLogP1.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 81192842
2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide
CID 81190734
2-(ethoxymethylsulfonyl)-5-(trifluoromethyl)aniline
CID 81176313
2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide
CID 81186168
5-(trifluoromethyl)-2-(3,3,3-trifluoropropylsulfonyl)aniline
CID 81175070
2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]-5-(trifluoromethyl)aniline
CID 115943806
2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide
CID 81176309
2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81184216
2-[3-(dimethylamino)propylsulfonyl]-5-(trifluoromethyl)aniline
CID 114526886
2-(2-butoxyethylsulfonyl)-5-(trifluoromethyl)aniline
CID 81175071
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175710
ethyl 2-[[2-amino-4-(trifluoromethyl)phenyl]sulfamoyl]acetate
CID 61457117

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide (CID 81174568) is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide is CCNC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide?
The InChIKey is JZGGQBIFIHUDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-2-16-10(17)6-20(18,19)9-4-3-7(5-8(9)15)11(12,13)14/h3-5H,2,6,15H2,1H3,(H,16,17).
What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide?
2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide has a molecular weight of 310.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 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-ethylacetamide is sourced from PubChem (CID 81174568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).