2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide

C11H16F3N3O2S — CID 106334470

IUPAC2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C11H16F3N3O2S/c1-17(2)20(18,19)6-5-16-10-4-3-8(15)7-9(10)11(12,13)14/h3-4,7,16H,5-6,15H2,1-2H3
InChIKeyJVMYENASCTVSDH-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.59
Rot. Bonds5

About 2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide

2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide (PubChem CID 106334470) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide
PubChem CID106334470
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C11H16F3N3O2S/c1-17(2)20(18,19)6-5-16-10-4-3-8(15)7-9(10)11(12,13)14/h3-4,7,16H,5-6,15H2,1-2H3
InChIKeyJVMYENASCTVSDH-UHFFFAOYSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
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-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide (CID 106334470) is 2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide?
The InChIKey is JVMYENASCTVSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-17(2)20(18,19)6-5-16-10-4-3-8(15)7-9(10)11(12,13)14/h3-4,7,16H,5-6,15H2,1-2H3.
What are the key properties of 2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide?
2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106334470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).