1-bromo-2-chlorosulfonyloxybenzene

C6H4BrClO3S — CID 54593995

IUPAC1-bromo-2-chlorosulfonyloxybenzene
SMILESO=S(=O)(Cl)Oc1ccccc1Br
InChIInChI=1S/C6H4BrClO3S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4H
InChIKeyPOLAYWWCPBVEHU-UHFFFAOYSA-N
MW271.52 g/mol
LogP2.31
Rot. Bonds2

About 1-bromo-2-chlorosulfonyloxybenzene

1-bromo-2-chlorosulfonyloxybenzene (PubChem CID 54593995) has the molecular formula C6H4BrClO3S and a molecular weight of 271.52 g/mol. Its IUPAC name is 1-bromo-2-chlorosulfonyloxybenzene.

Molecular Properties

Compound Name1-bromo-2-chlorosulfonyloxybenzene
PubChem CID54593995
Molecular FormulaC6H4BrClO3S
Molecular Weight271.52 g/mol
Exact Mass269.88
IUPAC Name1-bromo-2-chlorosulfonyloxybenzene
SMILESO=S(=O)(Cl)Oc1ccccc1Br
InChIInChI=1S/C6H4BrClO3S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4H
InChIKeyPOLAYWWCPBVEHU-UHFFFAOYSA-N
XLogP2.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.52
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chlorosulfonyloxybenzene?
The IUPAC name of 1-bromo-2-chlorosulfonyloxybenzene (CID 54593995) is 1-bromo-2-chlorosulfonyloxybenzene.
What is the SMILES notation for 1-bromo-2-chlorosulfonyloxybenzene?
The canonical SMILES for 1-bromo-2-chlorosulfonyloxybenzene is O=S(=O)(Cl)Oc1ccccc1Br.
What is the InChIKey of 1-bromo-2-chlorosulfonyloxybenzene?
The InChIKey is POLAYWWCPBVEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClO3S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4H.
What are the key properties of 1-bromo-2-chlorosulfonyloxybenzene?
1-bromo-2-chlorosulfonyloxybenzene has a molecular weight of 271.52 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chlorosulfonyloxybenzene is sourced from PubChem (CID 54593995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).