4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide

C15H12BrClF3NO2S — CID 165435692

IUPAC4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)cc1Br
InChIInChI=1S/C15H12BrClF3NO2S/c1-8-6-14(9(2)5-11(8)16)24(22,23)21-13-7-10(15(18,19)20)3-4-12(13)17/h3-7,21H,1-2H3
InChIKeyHMICSAFYMFACEN-UHFFFAOYSA-N
MW442.68 g/mol
LogP5.54
Rot. Bonds3

About 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide

4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 165435692) has the molecular formula C15H12BrClF3NO2S and a molecular weight of 442.68 g/mol. Its IUPAC name is 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID165435692
Molecular FormulaC15H12BrClF3NO2S
Molecular Weight442.68 g/mol
Exact Mass440.94
IUPAC Name4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)cc1Br
InChIInChI=1S/C15H12BrClF3NO2S/c1-8-6-14(9(2)5-11(8)16)24(22,23)21-13-7-10(15(18,19)20)3-4-12(13)17/h3-7,21H,1-2H3
InChIKeyHMICSAFYMFACEN-UHFFFAOYSA-N
XLogP5.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.68
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548322
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 5162311
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282516
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 21177408
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 171699229
N-[2-chloro-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 971753
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414636
4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 163343274
2,5-dibromo-N-(2,4-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427013
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide (CID 165435692) is 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)cc1Br.
What is the InChIKey of 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is HMICSAFYMFACEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF3NO2S/c1-8-6-14(9(2)5-11(8)16)24(22,23)21-13-7-10(15(18,19)20)3-4-12(13)17/h3-7,21H,1-2H3.
What are the key properties of 4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide?
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 442.68 g/mol, XLogP of 5.54, 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-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 165435692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).