1-chloro-4-chlorosulfonyloxybenzene

C6H4Cl2O3S — CID 12741185

IUPAC1-chloro-4-chlorosulfonyloxybenzene
SMILESO=S(=O)(Cl)Oc1ccc(Cl)cc1
InChIInChI=1S/C6H4Cl2O3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H
InChIKeyBKVUMYOQSQOQMN-UHFFFAOYSA-N
MW227.07 g/mol
LogP2.20
Rot. Bonds2

About 1-chloro-4-chlorosulfonyloxybenzene

1-chloro-4-chlorosulfonyloxybenzene (PubChem CID 12741185) has the molecular formula C6H4Cl2O3S and a molecular weight of 227.07 g/mol. Its IUPAC name is 1-chloro-4-chlorosulfonyloxybenzene.

Molecular Properties

Compound Name1-chloro-4-chlorosulfonyloxybenzene
PubChem CID12741185
Molecular FormulaC6H4Cl2O3S
Molecular Weight227.07 g/mol
Exact Mass225.93
IUPAC Name1-chloro-4-chlorosulfonyloxybenzene
SMILESO=S(=O)(Cl)Oc1ccc(Cl)cc1
InChIInChI=1S/C6H4Cl2O3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H
InChIKeyBKVUMYOQSQOQMN-UHFFFAOYSA-N
XLogP2.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.07
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-chlorosulfonyloxybenzene?
The IUPAC name of 1-chloro-4-chlorosulfonyloxybenzene (CID 12741185) is 1-chloro-4-chlorosulfonyloxybenzene.
What is the SMILES notation for 1-chloro-4-chlorosulfonyloxybenzene?
The canonical SMILES for 1-chloro-4-chlorosulfonyloxybenzene is O=S(=O)(Cl)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-chlorosulfonyloxybenzene?
The InChIKey is BKVUMYOQSQOQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H.
What are the key properties of 1-chloro-4-chlorosulfonyloxybenzene?
1-chloro-4-chlorosulfonyloxybenzene has a molecular weight of 227.07 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-chlorosulfonyloxybenzene is sourced from PubChem (CID 12741185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).