2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

C18H20F3NO2S — CID 3861159

IUPAC2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1C
InChIInChI=1S/C18H20F3NO2S/c1-10-11(2)13(4)17(14(5)12(10)3)25(23,24)22-16-9-7-6-8-15(16)18(19,20)21/h6-9,22H,1-5H3
InChIKeyIHFQGIYBRJYRTL-UHFFFAOYSA-N
MW371.42 g/mol
LogP5.05
Rot. Bonds3

About 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3861159) has the molecular formula C18H20F3NO2S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3861159
Molecular FormulaC18H20F3NO2S
Molecular Weight371.42 g/mol
Exact Mass371.12
IUPAC Name2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1C
InChIInChI=1S/C18H20F3NO2S/c1-10-11(2)13(4)17(14(5)12(10)3)25(23,24)22-16-9-7-6-8-15(16)18(19,20)21/h6-9,22H,1-5H3
InChIKeyIHFQGIYBRJYRTL-UHFFFAOYSA-N
XLogP5.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773407
N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 141280125
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 3496622
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
2-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 12017862
1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]pyrrole-3-sulfonamide
CID 20945277
N-[2-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 60640821
5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79998351
N-(propan-2-ylsulfamoyl)-2-(trifluoromethyl)aniline
CID 12503957
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201415
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773507

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3861159) is 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is IHFQGIYBRJYRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2S/c1-10-11(2)13(4)17(14(5)12(10)3)25(23,24)22-16-9-7-6-8-15(16)18(19,20)21/h6-9,22H,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 371.42 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3861159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).