2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

C15H14F3NO2S — CID 22774165

IUPAC2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO2S/c1-10-7-8-11(2)14(9-10)22(20,21)19-13-6-4-3-5-12(13)15(16,17)18/h3-9,19H,1-2H3
InChIKeyHNGQJXZCOWBDQH-UHFFFAOYSA-N
MW329.34 g/mol
LogP4.12
Rot. Bonds3

About 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 22774165) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID22774165
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC Name2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO2S/c1-10-7-8-11(2)14(9-10)22(20,21)19-13-6-4-3-5-12(13)15(16,17)18/h3-9,19H,1-2H3
InChIKeyHNGQJXZCOWBDQH-UHFFFAOYSA-N
XLogP4.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-methyl-3-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 99600303
N-[2-(chloromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 65031301
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159
1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615685
2,5-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 6892667
5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768
2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2497166
4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78787079
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 125467584
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79998351

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 22774165) is 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is HNGQJXZCOWBDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-10-7-8-11(2)14(9-10)22(20,21)19-13-6-4-3-5-12(13)15(16,17)18/h3-9,19H,1-2H3.
What are the key properties of 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 329.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22774165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).