4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C15H13BrF3NO2S — CID 98000614

IUPAC4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13BrF3NO2S/c1-9-3-4-10(2)14(7-9)20-23(21,22)11-5-6-13(16)12(8-11)15(17,18)19/h3-8,20H,1-2H3
InChIKeyRAJDXNMUECLCAZ-UHFFFAOYSA-N
MW408.24 g/mol
LogP4.89
Rot. Bonds3

About 4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide

4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 98000614) has the molecular formula C15H13BrF3NO2S and a molecular weight of 408.24 g/mol. Its IUPAC name is 4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID98000614
Molecular FormulaC15H13BrF3NO2S
Molecular Weight408.24 g/mol
Exact Mass406.98
IUPAC Name4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13BrF3NO2S/c1-9-3-4-10(2)14(7-9)20-23(21,22)11-5-6-13(16)12(8-11)15(17,18)19/h3-8,20H,1-2H3
InChIKeyRAJDXNMUECLCAZ-UHFFFAOYSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000667
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3791581
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3706332
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
4-[(4-bromophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 1333820
4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000747
N-[5-bromo-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370041
N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 68679977
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000566
4-bromo-N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000740

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 98000614) is 4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RAJDXNMUECLCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO2S/c1-9-3-4-10(2)14(7-9)20-23(21,22)11-5-6-13(16)12(8-11)15(17,18)19/h3-8,20H,1-2H3.
What are the key properties of 4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 408.24 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 98000614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).