2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride

C8H5Cl3F2O3S — CID 60922522

IUPAC2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCC(F)F)c(Cl)c1Cl
InChIInChI=1S/C8H5Cl3F2O3S/c9-7-4(16-3-6(12)13)1-2-5(8(7)10)17(11,14)15/h1-2,6H,3H2
InChIKeyWQVINRKETPSKIC-UHFFFAOYSA-N
MW325.55 g/mol
LogP3.56
Rot. Bonds4

About 2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride

2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride (PubChem CID 60922522) has the molecular formula C8H5Cl3F2O3S and a molecular weight of 325.55 g/mol. Its IUPAC name is 2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride
PubChem CID60922522
Molecular FormulaC8H5Cl3F2O3S
Molecular Weight325.55 g/mol
Exact Mass323.90
IUPAC Name2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCC(F)F)c(Cl)c1Cl
InChIInChI=1S/C8H5Cl3F2O3S/c9-7-4(16-3-6(12)13)1-2-5(8(7)10)17(11,14)15/h1-2,6H,3H2
InChIKeyWQVINRKETPSKIC-UHFFFAOYSA-N
XLogP3.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-4-(4-methylpentoxy)benzenesulfonyl chloride
CID 83157190
4-(2,3-dichloro-4-chlorosulfonylphenoxy)butanoic acid
CID 43247032
2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride
CID 43134405
2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride
CID 82910055
4-(2,2-difluoroethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 60922524
2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82912787
2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247030
3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide
CID 82913410
2,3-dichloro-4-[(1-ethylpyrazol-4-yl)methoxy]benzenesulfonyl chloride
CID 62126886
2,4-dichloro-1-(2,2-difluoroethoxy)benzene
CID 57262164
5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 78986424
2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene
CID 178050325

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride (CID 60922522) is 2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OCC(F)F)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride?
The InChIKey is WQVINRKETPSKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3F2O3S/c9-7-4(16-3-6(12)13)1-2-5(8(7)10)17(11,14)15/h1-2,6H,3H2.
What are the key properties of 2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride?
2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride has a molecular weight of 325.55 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 60922522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).