N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide

C11H14F3NO2S — CID 590743

IUPACN-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-3-8-6-5-7-9(4-2)10(8)15-18(16,17)11(12,13)14/h5-7,15H,3-4H2,1-2H3
InChIKeyMOESXZSJSUXPHI-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.07
Rot. Bonds4

About N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide

N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 590743) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID590743
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC NameN-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-3-8-6-5-7-9(4-2)10(8)15-18(16,17)11(12,13)14/h5-7,15H,3-4H2,1-2H3
InChIKeyMOESXZSJSUXPHI-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide (CID 590743) is N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide is CCc1cccc(CC)c1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is MOESXZSJSUXPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-3-8-6-5-7-9(4-2)10(8)15-18(16,17)11(12,13)14/h5-7,15H,3-4H2,1-2H3.
What are the key properties of N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide?
N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 281.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 590743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).