1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene

C12H4Cl4F2O6S3 — CID 155337072

IUPAC1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene
SMILESO=S(=O)(F)Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1OS(=O)(=O)F
InChIInChI=1S/C12H4Cl4F2O6S3/c13-5-1-7(15)11(23-26(17,19)20)9(3-5)25-10-4-6(14)2-8(16)12(10)24-27(18,21)22/h1-4H
InChIKeyWOSFEGFKIVFMIC-UHFFFAOYSA-N
MW520.17 g/mol
LogP5.64
Rot. Bonds6

About 1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene

1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene (PubChem CID 155337072) has the molecular formula C12H4Cl4F2O6S3 and a molecular weight of 520.17 g/mol. Its IUPAC name is 1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene.

Molecular Properties

Compound Name1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene
PubChem CID155337072
Molecular FormulaC12H4Cl4F2O6S3
Molecular Weight520.17 g/mol
Exact Mass517.79
IUPAC Name1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene
SMILESO=S(=O)(F)Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1OS(=O)(=O)F
InChIInChI=1S/C12H4Cl4F2O6S3/c13-5-1-7(15)11(23-26(17,19)20)9(3-5)25-10-4-6(14)2-8(16)12(10)24-27(18,21)22/h1-4H
InChIKeyWOSFEGFKIVFMIC-UHFFFAOYSA-N
XLogP5.64
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.17
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene?
The IUPAC name of 1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene (CID 155337072) is 1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene.
What is the SMILES notation for 1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene?
The canonical SMILES for 1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene is O=S(=O)(F)Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1OS(=O)(=O)F.
What is the InChIKey of 1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene?
The InChIKey is WOSFEGFKIVFMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl4F2O6S3/c13-5-1-7(15)11(23-26(17,19)20)9(3-5)25-10-4-6(14)2-8(16)12(10)24-27(18,21)22/h1-4H.
What are the key properties of 1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene?
1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene has a molecular weight of 520.17 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-(3,5-dichloro-2-fluorosulfonyloxyphenyl)sulfanyl-2-fluorosulfonyloxybenzene is sourced from PubChem (CID 155337072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).