4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide

C13H8BrClF3NO2S — CID 98000566

IUPAC4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H8BrClF3NO2S/c14-12-6-5-10(7-11(12)13(16,17)18)22(20,21)19-9-3-1-8(15)2-4-9/h1-7,19H
InChIKeySCCYVZWIJSLLIQ-UHFFFAOYSA-N
MW414.63 g/mol
LogP4.92
Rot. Bonds3

About 4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide

4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 98000566) has the molecular formula C13H8BrClF3NO2S and a molecular weight of 414.63 g/mol. Its IUPAC name is 4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID98000566
Molecular FormulaC13H8BrClF3NO2S
Molecular Weight414.63 g/mol
Exact Mass412.91
IUPAC Name4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H8BrClF3NO2S/c14-12-6-5-10(7-11(12)13(16,17)18)22(20,21)19-9-3-1-8(15)2-4-9/h1-7,19H
InChIKeySCCYVZWIJSLLIQ-UHFFFAOYSA-N
XLogP4.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000740
4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000747
4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000732
4-bromo-N-(5-chloro-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000667
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3791581
4-bromo-3-fluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 97161992
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 18283976
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3706332
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3858047
1-bromo-4-[4-bromo-3-(trifluoromethyl)phenyl]sulfonyl-2-(trifluoromethyl)benzene
CID 175050913
4-bromo-N-cyclobutyl-3-(trifluoromethyl)benzenesulfonamide
CID 165368850
4-bromo-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 165368885

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 98000566) is 4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SCCYVZWIJSLLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF3NO2S/c14-12-6-5-10(7-11(12)13(16,17)18)22(20,21)19-9-3-1-8(15)2-4-9/h1-7,19H.
What are the key properties of 4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide?
4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 414.63 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 98000566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).