2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C16H16F3NO2S — CID 123470227

IUPAC2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)c(C)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO2S/c1-9-7-10(2)15(23(20,21)22)11(3)14(9)12-5-4-6-13(8-12)16(17,18)19/h4-8H,1-3H3,(H2,20,21,22)
InChIKeyAQBAQMHNPVNVBV-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.95
Rot. Bonds2

About 2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide

2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 123470227) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID123470227
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)c(C)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO2S/c1-9-7-10(2)15(23(20,21)22)11(3)14(9)12-5-4-6-13(8-12)16(17,18)19/h4-8H,1-3H3,(H2,20,21,22)
InChIKeyAQBAQMHNPVNVBV-UHFFFAOYSA-N
XLogP3.95
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.95
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-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 123470227) is 2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1cc(C)c(S(N)(=O)=O)c(C)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is AQBAQMHNPVNVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-9-7-10(2)15(23(20,21)22)11(3)14(9)12-5-4-6-13(8-12)16(17,18)19/h4-8H,1-3H3,(H2,20,21,22).
What are the key properties of 2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 343.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 123470227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).