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

C7H3Cl3F2O3S — CID 82912671

IUPAC2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OC(F)F)cc1Cl
InChIInChI=1S/C7H3Cl3F2O3S/c8-3-2-6(16(10,13)14)4(9)1-5(3)15-7(11)12/h1-2,7H
InChIKeyJGGPIUGMMOVXAW-UHFFFAOYSA-N
MW311.52 g/mol
LogP3.52
Rot. Bonds3

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

2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride (PubChem CID 82912671) has the molecular formula C7H3Cl3F2O3S and a molecular weight of 311.52 g/mol. Its IUPAC name is 2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride
PubChem CID82912671
Molecular FormulaC7H3Cl3F2O3S
Molecular Weight311.52 g/mol
Exact Mass309.88
IUPAC Name2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OC(F)F)cc1Cl
InChIInChI=1S/C7H3Cl3F2O3S/c8-3-2-6(16(10,13)14)4(9)1-5(3)15-7(11)12/h1-2,7H
InChIKeyJGGPIUGMMOVXAW-UHFFFAOYSA-N
XLogP3.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride (CID 82912671) is 2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(OC(F)F)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride?
The InChIKey is JGGPIUGMMOVXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3F2O3S/c8-3-2-6(16(10,13)14)4(9)1-5(3)15-7(11)12/h1-2,7H.
What are the key properties of 2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride?
2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride has a molecular weight of 311.52 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(difluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82912671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).