4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

C15H11BrCl2F3NO2S — CID 146256298

IUPAC4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1C(F)(F)F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C15H11BrCl2F3NO2S/c16-10-7-12(17)14(13(18)8-10)25(23,24)22-6-5-9-3-1-2-4-11(9)15(19,20)21/h1-4,7-8,22H,5-6H2
InChIKeyWBDRTZWFNQYOOA-UHFFFAOYSA-N
MW477.13 g/mol
LogP5.30
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 146256298) has the molecular formula C15H11BrCl2F3NO2S and a molecular weight of 477.13 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
PubChem CID146256298
Molecular FormulaC15H11BrCl2F3NO2S
Molecular Weight477.13 g/mol
Exact Mass474.90
IUPAC Name4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1C(F)(F)F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C15H11BrCl2F3NO2S/c16-10-7-12(17)14(13(18)8-10)25(23,24)22-6-5-9-3-1-2-4-11(9)15(19,20)21/h1-4,7-8,22H,5-6H2
InChIKeyWBDRTZWFNQYOOA-UHFFFAOYSA-N
XLogP5.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.13
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (CID 146256298) is 4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccccc1C(F)(F)F)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is WBDRTZWFNQYOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2F3NO2S/c16-10-7-12(17)14(13(18)8-10)25(23,24)22-6-5-9-3-1-2-4-11(9)15(19,20)21/h1-4,7-8,22H,5-6H2.
What are the key properties of 4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 477.13 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[2-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 146256298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).