4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C14H10BrClF3NO2S — CID 98000667

IUPAC4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H10BrClF3NO2S/c1-8-2-3-9(16)6-13(8)20-23(21,22)10-4-5-12(15)11(7-10)14(17,18)19/h2-7,20H,1H3
InChIKeyJDZVHGBBPXSKJF-UHFFFAOYSA-N
MW428.66 g/mol
LogP5.23
Rot. Bonds3

About 4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide

4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 98000667) has the molecular formula C14H10BrClF3NO2S and a molecular weight of 428.66 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID98000667
Molecular FormulaC14H10BrClF3NO2S
Molecular Weight428.66 g/mol
Exact Mass426.93
IUPAC Name4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C14H10BrClF3NO2S/c1-8-2-3-9(16)6-13(8)20-23(21,22)10-4-5-12(15)11(7-10)14(17,18)19/h2-7,20H,1H3
InChIKeyJDZVHGBBPXSKJF-UHFFFAOYSA-N
XLogP5.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.66
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000614
3-amino-4-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 115328687
4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000566
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 97161969
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
4-chloro-N-(5-chloro-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67972012
4-bromo-N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000740
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
methyl 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate
CID 2108537
4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000747

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 98000667) is 4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JDZVHGBBPXSKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3NO2S/c1-8-2-3-9(16)6-13(8)20-23(21,22)10-4-5-12(15)11(7-10)14(17,18)19/h2-7,20H,1H3.
What are the key properties of 4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 428.66 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 98000667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).