2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide

C15H11BrF3NO2S — CID 176729556

IUPAC2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C=CC(F)(F)F)c1-c1ccccc1Br
InChIInChI=1S/C15H11BrF3NO2S/c16-12-6-2-1-5-11(12)14-10(8-9-15(17,18)19)4-3-7-13(14)23(20,21)22/h1-9H,(H2,20,21,22)
InChIKeyBOTGOSGLHVJBDO-UHFFFAOYSA-N
MW406.22 g/mol
LogP4.34
Rot. Bonds3

About 2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide

2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide (PubChem CID 176729556) has the molecular formula C15H11BrF3NO2S and a molecular weight of 406.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide
PubChem CID176729556
Molecular FormulaC15H11BrF3NO2S
Molecular Weight406.22 g/mol
Exact Mass404.96
IUPAC Name2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C=CC(F)(F)F)c1-c1ccccc1Br
InChIInChI=1S/C15H11BrF3NO2S/c16-12-6-2-1-5-11(12)14-10(8-9-15(17,18)19)4-3-7-13(14)23(20,21)22/h1-9H,(H2,20,21,22)
InChIKeyBOTGOSGLHVJBDO-UHFFFAOYSA-N
XLogP4.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.22
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)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 2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide?
The IUPAC name of 2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide (CID 176729556) is 2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide.
What is the SMILES notation for 2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide?
The canonical SMILES for 2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide is NS(=O)(=O)c1cccc(C=CC(F)(F)F)c1-c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide?
The InChIKey is BOTGOSGLHVJBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO2S/c16-12-6-2-1-5-11(12)14-10(8-9-15(17,18)19)4-3-7-13(14)23(20,21)22/h1-9H,(H2,20,21,22).
What are the key properties of 2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide?
2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide has a molecular weight of 406.22 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(3,3,3-trifluoroprop-1-enyl)benzenesulfonamide is sourced from PubChem (CID 176729556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).