1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide

C10H12F3NO2S — CID 114827613

IUPAC1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide
SMILESCc1ccc(C(C(F)(F)F)S(N)(=O)=O)c(C)c1
InChIInChI=1S/C10H12F3NO2S/c1-6-3-4-8(7(2)5-6)9(10(11,12)13)17(14,15)16/h3-5,9H,1-2H3,(H2,14,15,16)
InChIKeyVVSHCGMGNKMYHE-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.20
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide

1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 114827613) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide
PubChem CID114827613
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide
SMILESCc1ccc(C(C(F)(F)F)S(N)(=O)=O)c(C)c1
InChIInChI=1S/C10H12F3NO2S/c1-6-3-4-8(7(2)5-6)9(10(11,12)13)17(14,15)16/h3-5,9H,1-2H3,(H2,14,15,16)
InChIKeyVVSHCGMGNKMYHE-UHFFFAOYSA-N
XLogP2.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827630
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 82360037
(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
CID 28500813
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-methylphenol;hydrochloride
CID 171243758
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-methylphenol;hydrochloride
CID 171250488
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 175668922
N-[(R)-(2,4-dimethylphenyl)-(2-iodo-4,6-dimethylphenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 102436863
azane;1-(2,4-dimethylphenyl)ethyl 2,2,2-trifluoroacetate
CID 69335044
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 43185231

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide (CID 114827613) is 1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide is Cc1ccc(C(C(F)(F)F)S(N)(=O)=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is VVSHCGMGNKMYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-6-3-4-8(7(2)5-6)9(10(11,12)13)17(14,15)16/h3-5,9H,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide?
1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 267.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 114827613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).