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

C16H16F3NO2S — CID 761523

IUPAC2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3
InChIKeyZIIUUSVHCHPIQD-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.43
Rot. Bonds3

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

2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 761523) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID761523
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3
InChIKeyZIIUUSVHCHPIQD-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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Related Compounds

p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
N-(4-butylphenyl)-4-fluorobenzenesulfonamide
CID 2843133
4-Methyl-N-(4-methylphenyl)benzenesulfonamide
CID 69034
4-Methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 925016
N-(4-ethylphenyl)-4-methylbenzenesulfonamide
CID 1817526
2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 770820
N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 711101
4-Methyl-N-(3-methylphenyl)benzenesulfonamide
CID 201604
2,4,6,N-Tetramethylbenzenesulfonanilide
CID 742447
N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 262999
2',6'-Diethyl-p-toluenesulfonanilide
CID 731535

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 761523) is 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is ZIIUUSVHCHPIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
2,4,6-trimethyl-N-[3-(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-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 761523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).