4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride

C7H3BrClF3O3S — CID 2736421

IUPAC4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C7H3BrClF3O3S/c8-4-1-2-6(16(9,13)14)5(3-4)15-7(10,11)12/h1-3H
InChIKeyZZCIRIWJHAZTIW-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.28
Rot. Bonds2

About 4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride

4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 2736421) has the molecular formula C7H3BrClF3O3S and a molecular weight of 339.52 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID2736421
Molecular FormulaC7H3BrClF3O3S
Molecular Weight339.52 g/mol
Exact Mass337.86
IUPAC Name4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C7H3BrClF3O3S/c8-4-1-2-6(16(9,13)14)5(3-4)15-7(10,11)12/h1-3H
InChIKeyZZCIRIWJHAZTIW-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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Related Compounds

5-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 520020
2-(Trifluoromethoxy)benzene-1-sulfonyl chloride
CID 2777215
4-Bromo-2-(trifluoromethoxy)thiophenol
CID 2736425
2-(Difluoromethoxy)benzene-1-sulfonyl chloride
CID 13729451
2-Bromo-4-methoxybenzene-1-sulfonyl chloride
CID 17389861
4-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 18754952
4-Bromo-2-(trifluoromethoxy)benzene-1-sulfonamide
CID 46738066
4-Bromo-3-methoxybenzene-1-sulfonyl chloride
CID 50876026
5-Bromo-3-fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 50989184
2-Bromo-4-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 50998018
5-Bromo-2-(trifluoromethoxy)benzene-1-sulfonamide
CID 53836106
5-Bromo-2-methoxybenzene-1-sulfonyl fluoride
CID 82305399

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride (CID 2736421) is 4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is ZZCIRIWJHAZTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3O3S/c8-4-1-2-6(16(9,13)14)5(3-4)15-7(10,11)12/h1-3H.
What are the key properties of 4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride?
4-bromo-2-(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 4-bromo-2-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 2736421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).