1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide

C8H6BrClF3NO2S — CID 114827698

IUPAC1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)C(c1ccc(Cl)cc1Br)C(F)(F)F
InChIInChI=1S/C8H6BrClF3NO2S/c9-6-3-4(10)1-2-5(6)7(8(11,12)13)17(14,15)16/h1-3,7H,(H2,14,15,16)
InChIKeyXJGWQGFAJIDHBC-UHFFFAOYSA-N
MW352.56 g/mol
LogP2.99
Rot. Bonds2

About 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide

1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 114827698) has the molecular formula C8H6BrClF3NO2S and a molecular weight of 352.56 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide
PubChem CID114827698
Molecular FormulaC8H6BrClF3NO2S
Molecular Weight352.56 g/mol
Exact Mass350.89
IUPAC Name1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide
SMILESNS(=O)(=O)C(c1ccc(Cl)cc1Br)C(F)(F)F
InChIInChI=1S/C8H6BrClF3NO2S/c9-6-3-4(10)1-2-5(6)7(8(11,12)13)17(14,15)16/h1-3,7H,(H2,14,15,16)
InChIKeyXJGWQGFAJIDHBC-UHFFFAOYSA-N
XLogP2.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide 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 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide (CID 114827698) is 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide is NS(=O)(=O)C(c1ccc(Cl)cc1Br)C(F)(F)F.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is XJGWQGFAJIDHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF3NO2S/c9-6-3-4(10)1-2-5(6)7(8(11,12)13)17(14,15)16/h1-3,7H,(H2,14,15,16).
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide?
1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 352.56 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 114827698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).