2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride

C7H3BrClF3O3S — CID 170997703

IUPAC2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(OC(F)(F)F)c1Br
InChIInChI=1S/C7H3BrClF3O3S/c8-6-4(15-7(10,11)12)2-1-3-5(6)16(9,13)14/h1-3H
InChIKeyVSELYPVGCAPRMV-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.28
Rot. Bonds2

About 2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride

2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 170997703) has the molecular formula C7H3BrClF3O3S and a molecular weight of 339.52 g/mol. Its IUPAC name is 2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID170997703
Molecular FormulaC7H3BrClF3O3S
Molecular Weight339.52 g/mol
Exact Mass337.86
IUPAC Name2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(OC(F)(F)F)c1Br
InChIInChI=1S/C7H3BrClF3O3S/c8-6-4(15-7(10,11)12)2-1-3-5(6)16(9,13)14/h1-3H
InChIKeyVSELYPVGCAPRMV-UHFFFAOYSA-N
XLogP3.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride (CID 170997703) is 2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(OC(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is VSELYPVGCAPRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3O3S/c8-6-4(15-7(10,11)12)2-1-3-5(6)16(9,13)14/h1-3H.
What are the key properties of 2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride?
2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 339.52 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 170997703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).