4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride

C7H2BrCl2F3O2S — CID 138105981

IUPAC4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Cl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H2BrCl2F3O2S/c8-3-1-4(7(11,12)13)6(5(9)2-3)16(10,14)15/h1-2H
InChIKeyKIAIPHWHLUYMAQ-UHFFFAOYSA-N
MW357.96 g/mol
LogP4.05
Rot. Bonds1

About 4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride

4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 138105981) has the molecular formula C7H2BrCl2F3O2S and a molecular weight of 357.96 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID138105981
Molecular FormulaC7H2BrCl2F3O2S
Molecular Weight357.96 g/mol
Exact Mass355.83
IUPAC Name4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Cl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C7H2BrCl2F3O2S/c8-3-1-4(7(11,12)13)6(5(9)2-3)16(10,14)15/h1-2H
InChIKeyKIAIPHWHLUYMAQ-UHFFFAOYSA-N
XLogP4.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.96
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride 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-chloro-6-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride (CID 138105981) is 4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1c(Cl)cc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is KIAIPHWHLUYMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl2F3O2S/c8-3-1-4(7(11,12)13)6(5(9)2-3)16(10,14)15/h1-2H.
What are the key properties of 4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride?
4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 357.96 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 138105981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).