2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

C16H16F3NO2S — CID 770820

IUPAC2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H16F3NO2S/c1-10-8-11(2)15(12(3)9-10)23(21,22)20-14-7-5-4-6-13(14)16(17,18)19/h4-9,20H,1-3H3
InChIKeySKJJIFRWCCSXGL-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.43
Rot. Bonds3

About 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 770820) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID770820
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H16F3NO2S/c1-10-8-11(2)15(12(3)9-10)23(21,22)20-14-7-5-4-6-13(14)16(17,18)19/h4-9,20H,1-3H3
InChIKeySKJJIFRWCCSXGL-UHFFFAOYSA-N
XLogP4.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 770820) is 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is SKJJIFRWCCSXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-10-8-11(2)15(12(3)9-10)23(21,22)20-14-7-5-4-6-13(14)16(17,18)19/h4-9,20H,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 343.37 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 770820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).