4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride

C7H2Cl3F3O3S — CID 54028535

IUPAC4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H2Cl3F3O3S/c8-3-1-5(16-7(11,12)13)6(2-4(3)9)17(10,14)15/h1-2H
InChIKeyLDXWDQZPBXLHIT-UHFFFAOYSA-N
MW329.51 g/mol
LogP3.82
Rot. Bonds2

About 4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride

4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride (PubChem CID 54028535) has the molecular formula C7H2Cl3F3O3S and a molecular weight of 329.51 g/mol. Its IUPAC name is 4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride
PubChem CID54028535
Molecular FormulaC7H2Cl3F3O3S
Molecular Weight329.51 g/mol
Exact Mass327.87
IUPAC Name4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(Cl)cc1OC(F)(F)F
InChIInChI=1S/C7H2Cl3F3O3S/c8-3-1-5(16-7(11,12)13)6(2-4(3)9)17(10,14)15/h1-2H
InChIKeyLDXWDQZPBXLHIT-UHFFFAOYSA-N
XLogP3.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride (CID 54028535) is 4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(Cl)cc1OC(F)(F)F.
What is the InChIKey of 4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride?
The InChIKey is LDXWDQZPBXLHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl3F3O3S/c8-3-1-5(16-7(11,12)13)6(2-4(3)9)17(10,14)15/h1-2H.
What are the key properties of 4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride?
4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride has a molecular weight of 329.51 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(trifluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 54028535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).