2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide

C10H11F3N2O2S — CID 81175290

IUPAC2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide
SMILESCNC(=O)CS(=O)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H11F3N2O2S/c1-15-9(16)5-18(17)8-3-2-6(4-7(8)14)10(11,12)13/h2-4H,5,14H2,1H3,(H,15,16)
InChIKeyHVNFMOUQOJNHHP-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.14
Rot. Bonds3

About 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide

2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide (PubChem CID 81175290) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide
PubChem CID81175290
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide
SMILESCNC(=O)CS(=O)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H11F3N2O2S/c1-15-9(16)5-18(17)8-3-2-6(4-7(8)14)10(11,12)13/h2-4H,5,14H2,1H3,(H,15,16)
InChIKeyHVNFMOUQOJNHHP-UHFFFAOYSA-N
XLogP1.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide
CID 81174688
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide
CID 81176174
2-(2,2,2-trifluoroethylsulfinyl)-5-(trifluoromethyl)aniline
CID 81176557
5-(trifluoromethyl)-2-(3,3,3-trifluoropropylsulfinyl)aniline
CID 81176043
2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide
CID 81183802
2-hexylsulfinyl-5-(trifluoromethyl)aniline
CID 81175172
2-(2-ethylsulfonylethylsulfinyl)-5-(trifluoromethyl)aniline
CID 81175916
6-[2-amino-4-(trifluoromethyl)phenyl]sulfinylhexan-1-ol
CID 107707391
2-(2-ethoxyethylsulfinyl)-5-(trifluoromethyl)aniline
CID 81174929
4-[2-amino-4-(trifluoromethyl)phenoxy]-N-methylbutanamide
CID 82007494
2-[(3-fluorophenyl)methylsulfinyl]-5-(trifluoromethyl)aniline
CID 81174824
2-[(2-bromophenyl)methylsulfinyl]-5-(trifluoromethyl)aniline
CID 81175445

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide?
The IUPAC name of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide (CID 81175290) is 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide.
What is the SMILES notation for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide?
The canonical SMILES for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide is CNC(=O)CS(=O)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide?
The InChIKey is HVNFMOUQOJNHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-15-9(16)5-18(17)8-3-2-6(4-7(8)14)10(11,12)13/h2-4H,5,14H2,1H3,(H,15,16).
What are the key properties of 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide?
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide has a molecular weight of 280.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-methylacetamide is sourced from PubChem (CID 81175290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).