N-methyl-4-(trifluoromethylsulfonyl)aniline

C8H8F3NO2S — CID 43427590

IUPACN-methyl-4-(trifluoromethylsulfonyl)aniline
SMILESCNc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO2S/c1-12-6-2-4-7(5-3-6)15(13,14)8(9,10)11/h2-5,12H,1H3
InChIKeyRCFMOAMDBYTOJW-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.02
Rot. Bonds2

About N-methyl-4-(trifluoromethylsulfonyl)aniline

N-methyl-4-(trifluoromethylsulfonyl)aniline (PubChem CID 43427590) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethylsulfonyl)aniline
PubChem CID43427590
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC NameN-methyl-4-(trifluoromethylsulfonyl)aniline
SMILESCNc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO2S/c1-12-6-2-4-7(5-3-6)15(13,14)8(9,10)11/h2-5,12H,1H3
InChIKeyRCFMOAMDBYTOJW-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethylsulfonyl)aniline?
The IUPAC name of N-methyl-4-(trifluoromethylsulfonyl)aniline (CID 43427590) is N-methyl-4-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for N-methyl-4-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for N-methyl-4-(trifluoromethylsulfonyl)aniline is CNc1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-methyl-4-(trifluoromethylsulfonyl)aniline?
The InChIKey is RCFMOAMDBYTOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-12-6-2-4-7(5-3-6)15(13,14)8(9,10)11/h2-5,12H,1H3.
What are the key properties of N-methyl-4-(trifluoromethylsulfonyl)aniline?
N-methyl-4-(trifluoromethylsulfonyl)aniline has a molecular weight of 239.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 43427590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).