2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride

C7H3BrClF3O2S — CID 2778613

IUPAC2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C7H3BrClF3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H
InChIKeyCBIFOAHDKKGDAC-UHFFFAOYSA-N
MW323.52 g/mol
LogP3.40
Rot. Bonds1

About 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride

2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 2778613) has the molecular formula C7H3BrClF3O2S and a molecular weight of 323.52 g/mol. Its IUPAC name is 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID2778613
Molecular FormulaC7H3BrClF3O2S
Molecular Weight323.52 g/mol
Exact Mass321.87
IUPAC Name2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C7H3BrClF3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H
InChIKeyCBIFOAHDKKGDAC-UHFFFAOYSA-N
XLogP3.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride (CID 2778613) is 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is CBIFOAHDKKGDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H.
What are the key properties of 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride?
2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 323.52 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 2778613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).