chlorosulfonyloxybenzene

C6H5ClO3S — CID 10856328

IUPACchlorosulfonyloxybenzene
SMILESO=S(=O)(Cl)Oc1ccccc1
InChIInChI=1S/C6H5ClO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H
InChIKeyXBXHEDNNWSJZPK-UHFFFAOYSA-N
MW192.62 g/mol
LogP1.55
Rot. Bonds2

About chlorosulfonyloxybenzene

chlorosulfonyloxybenzene (PubChem CID 10856328) has the molecular formula C6H5ClO3S and a molecular weight of 192.62 g/mol. Its IUPAC name is chlorosulfonyloxybenzene.

Molecular Properties

Compound Namechlorosulfonyloxybenzene
PubChem CID10856328
Molecular FormulaC6H5ClO3S
Molecular Weight192.62 g/mol
Exact Mass191.96
IUPAC Namechlorosulfonyloxybenzene
SMILESO=S(=O)(Cl)Oc1ccccc1
InChIInChI=1S/C6H5ClO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H
InChIKeyXBXHEDNNWSJZPK-UHFFFAOYSA-N
XLogP1.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.62
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of chlorosulfonyloxybenzene?
The IUPAC name of chlorosulfonyloxybenzene (CID 10856328) is chlorosulfonyloxybenzene.
What is the SMILES notation for chlorosulfonyloxybenzene?
The canonical SMILES for chlorosulfonyloxybenzene is O=S(=O)(Cl)Oc1ccccc1.
What is the InChIKey of chlorosulfonyloxybenzene?
The InChIKey is XBXHEDNNWSJZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H.
What are the key properties of chlorosulfonyloxybenzene?
chlorosulfonyloxybenzene has a molecular weight of 192.62 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonyloxybenzene is sourced from PubChem (CID 10856328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).