2-(benzenesulfonyl)ethyl-chloromercury

C8H9ClHgO2S — CID 13270826

IUPAC2-(benzenesulfonyl)ethyl-chloromercury
SMILESO=S(=O)(CC[Hg]Cl)c1ccccc1
InChIInChI=1S/C8H9O2S.ClH.Hg/c1-2-11(9,10)8-6-4-3-5-7-8;;/h3-7H,1-2H2;1H;/q;;+1/p-1
InChIKeyRJYYTMGLDZLWOI-UHFFFAOYSA-M
MW405.27 g/mol
LogP2.11
Rot. Bonds4

About 2-(benzenesulfonyl)ethyl-chloromercury

2-(benzenesulfonyl)ethyl-chloromercury (PubChem CID 13270826) has the molecular formula C8H9ClHgO2S and a molecular weight of 405.27 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethyl-chloromercury.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethyl-chloromercury
PubChem CID13270826
Molecular FormulaC8H9ClHgO2S
Molecular Weight405.27 g/mol
Exact Mass405.97
IUPAC Name2-(benzenesulfonyl)ethyl-chloromercury
SMILESO=S(=O)(CC[Hg]Cl)c1ccccc1
InChIInChI=1S/C8H9O2S.ClH.Hg/c1-2-11(9,10)8-6-4-3-5-7-8;;/h3-7H,1-2H2;1H;/q;;+1/p-1
InChIKeyRJYYTMGLDZLWOI-UHFFFAOYSA-M
XLogP2.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 737205
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1,4-bis[2-(benzenesulfonyl)ethyl]piperazine-1,4-diium
CID 7201585
5-(benzenesulfonyl)pentanal
CID 14120174
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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)ethyl-chloromercury?
The IUPAC name of 2-(benzenesulfonyl)ethyl-chloromercury (CID 13270826) is 2-(benzenesulfonyl)ethyl-chloromercury.
What is the SMILES notation for 2-(benzenesulfonyl)ethyl-chloromercury?
The canonical SMILES for 2-(benzenesulfonyl)ethyl-chloromercury is O=S(=O)(CC[Hg]Cl)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)ethyl-chloromercury?
The InChIKey is RJYYTMGLDZLWOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9O2S.ClH.Hg/c1-2-11(9,10)8-6-4-3-5-7-8;;/h3-7H,1-2H2;1H;/q;;+1/p-1.
What are the key properties of 2-(benzenesulfonyl)ethyl-chloromercury?
2-(benzenesulfonyl)ethyl-chloromercury has a molecular weight of 405.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethyl-chloromercury is sourced from PubChem (CID 13270826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).