N,N-diethyl-4-(trifluoromethylsulfonyl)aniline

C11H14F3NO2S — CID 890760

IUPACN,N-diethyl-4-(trifluoromethylsulfonyl)aniline
SMILESCCN(CC)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO2S/c1-3-15(4-2)9-5-7-10(8-6-9)18(16,17)11(12,13)14/h5-8H,3-4H2,1-2H3
InChIKeyNOZBCWVNFLUKIF-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.83
Rot. Bonds4

About N,N-diethyl-4-(trifluoromethylsulfonyl)aniline

N,N-diethyl-4-(trifluoromethylsulfonyl)aniline (PubChem CID 890760) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is N,N-diethyl-4-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(trifluoromethylsulfonyl)aniline
PubChem CID890760
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC NameN,N-diethyl-4-(trifluoromethylsulfonyl)aniline
SMILESCCN(CC)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO2S/c1-3-15(4-2)9-5-7-10(8-6-9)18(16,17)11(12,13)14/h5-8H,3-4H2,1-2H3
InChIKeyNOZBCWVNFLUKIF-UHFFFAOYSA-N
XLogP2.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-methylsulfonylaniline
CID 145223146
N-(2-chloroethyl)-N-methyl-4-(trifluoromethylsulfonyl)aniline
CID 63388790
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N-ethyl-N'-methyl-N'-[4-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 62586005
4-[4-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-N-[4-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]phenyl]anilino]benzaldehyde
CID 139258657
N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide
CID 13078532
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-(2-aminoethylsulfonyl)-N,N-diethylaniline
CID 84708887
4-(trifluoromethylsulfonyl)phenol
CID 14857426
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799
bis(N,N-diethylaniline);sulfuric acid;hydrate
CID 174461445
potassium 1-(diethylamino)-4-sulfonatosulfanylbenzene
CID 21204713

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(trifluoromethylsulfonyl)aniline?
The IUPAC name of N,N-diethyl-4-(trifluoromethylsulfonyl)aniline (CID 890760) is N,N-diethyl-4-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for N,N-diethyl-4-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for N,N-diethyl-4-(trifluoromethylsulfonyl)aniline is CCN(CC)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N,N-diethyl-4-(trifluoromethylsulfonyl)aniline?
The InChIKey is NOZBCWVNFLUKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-3-15(4-2)9-5-7-10(8-6-9)18(16,17)11(12,13)14/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-(trifluoromethylsulfonyl)aniline?
N,N-diethyl-4-(trifluoromethylsulfonyl)aniline has a molecular weight of 281.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 890760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).