3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride

C12H6Cl3FO3S — CID 82717120

IUPAC3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(Cl)c(F)c2)c(Cl)c1
InChIInChI=1S/C12H6Cl3FO3S/c13-9-3-1-7(5-11(9)16)19-12-4-2-8(6-10(12)14)20(15,17)18/h1-6H
InChIKeyCLRNSKAJFHHUFT-UHFFFAOYSA-N
MW355.60 g/mol
LogP4.85
Rot. Bonds3

About 3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride

3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride (PubChem CID 82717120) has the molecular formula C12H6Cl3FO3S and a molecular weight of 355.60 g/mol. Its IUPAC name is 3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride
PubChem CID82717120
Molecular FormulaC12H6Cl3FO3S
Molecular Weight355.60 g/mol
Exact Mass353.91
IUPAC Name3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc(Cl)c(F)c2)c(Cl)c1
InChIInChI=1S/C12H6Cl3FO3S/c13-9-3-1-7(5-11(9)16)19-12-4-2-8(6-10(12)14)20(15,17)18/h1-6H
InChIKeyCLRNSKAJFHHUFT-UHFFFAOYSA-N
XLogP4.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.60
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(4-methylsulfanylphenoxy)benzenesulfonyl chloride
CID 63649148
3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride
CID 61375597
3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride
CID 61375214
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonyl chloride
CID 61372963
3-chloro-4-(4-nitrophenoxy)benzenesulfonyl chloride
CID 12505133
3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride
CID 61373146
4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride
CID 43114279
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
[2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol
CID 82716426
[4-(4-chloro-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 82716427
2-(4-chloro-3-fluorophenoxy)-5-methylaniline
CID 82716538
4-(4-chloro-3-fluorophenoxy)-3-nitrobenzaldehyde
CID 82716350

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride (CID 82717120) is 3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Oc2ccc(Cl)c(F)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride?
The InChIKey is CLRNSKAJFHHUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3FO3S/c13-9-3-1-7(5-11(9)16)19-12-4-2-8(6-10(12)14)20(15,17)18/h1-6H.
What are the key properties of 3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride?
3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride has a molecular weight of 355.60 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82717120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).