sodium chloro-[4-(sulfonatomethyl)phenyl]mercury

C7H6ClHgNaO3S — CID 23719479

IUPACsodium chloro-[4-(sulfonatomethyl)phenyl]mercury
SMILESO=S(=O)([O-])Cc1ccc([Hg]Cl)cc1.[Na+]
InChIInChI=1S/C7H7O3S.ClH.Hg.Na/c8-11(9,10)6-7-4-2-1-3-5-7;;;/h2-5H,6H2,(H,8,9,10);1H;;/q;;2*+1/p-2
InChIKeyDCFOCOYSKRHZKK-UHFFFAOYSA-L
MW429.22 g/mol
LogP-2.40
Rot. Bonds3

About sodium chloro-[4-(sulfonatomethyl)phenyl]mercury

sodium chloro-[4-(sulfonatomethyl)phenyl]mercury (PubChem CID 23719479) has the molecular formula C7H6ClHgNaO3S and a molecular weight of 429.22 g/mol. Its IUPAC name is sodium chloro-[4-(sulfonatomethyl)phenyl]mercury.

Molecular Properties

Compound Namesodium chloro-[4-(sulfonatomethyl)phenyl]mercury
PubChem CID23719479
Molecular FormulaC7H6ClHgNaO3S
Molecular Weight429.22 g/mol
Exact Mass429.93
IUPAC Namesodium chloro-[4-(sulfonatomethyl)phenyl]mercury
SMILESO=S(=O)([O-])Cc1ccc([Hg]Cl)cc1.[Na+]
InChIInChI=1S/C7H7O3S.ClH.Hg.Na/c8-11(9,10)6-7-4-2-1-3-5-7;;;/h2-5H,6H2,(H,8,9,10);1H;;/q;;2*+1/p-2
InChIKeyDCFOCOYSKRHZKK-UHFFFAOYSA-L
XLogP-2.40
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.22
LogP ≤ 5-2.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium (4-chlorophenyl)methanesulfonate
CID 23691083
chloro-(4-sulfonatophenyl)mercury
CID 5460705
cerium(3+);phenylmethanesulfonate
CID 141496553
sodium (4-benzoylphenyl)methanesulfonate
CID 23668166
sodium (3,4-dihydroxyphenyl)methanesulfonate
CID 23706992
potassium pyridin-4-ylmethanesulfonate
CID 23670674
sodium [4-(methylcarbamoyl)phenyl]methanesulfonate
CID 59940234
phenylmethanesulfonate;1H-pyrrol-1-ium
CID 141216947
1-methylpyridin-1-ium;phenylmethanesulfonate
CID 141072222
sodium 4-(chloromethyl)benzenesulfonate
CID 23576659
(3,5-dimethylphenyl)methanesulfonate
CID 7567768
[4-[2-(4-formylphenoxy)ethyl]phenyl]methanesulfonate
CID 18761819

Frequently Asked Questions

What is the IUPAC name of sodium chloro-[4-(sulfonatomethyl)phenyl]mercury?
The IUPAC name of sodium chloro-[4-(sulfonatomethyl)phenyl]mercury (CID 23719479) is sodium chloro-[4-(sulfonatomethyl)phenyl]mercury.
What is the SMILES notation for sodium chloro-[4-(sulfonatomethyl)phenyl]mercury?
The canonical SMILES for sodium chloro-[4-(sulfonatomethyl)phenyl]mercury is O=S(=O)([O-])Cc1ccc([Hg]Cl)cc1.[Na+].
What is the InChIKey of sodium chloro-[4-(sulfonatomethyl)phenyl]mercury?
The InChIKey is DCFOCOYSKRHZKK-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H7O3S.ClH.Hg.Na/c8-11(9,10)6-7-4-2-1-3-5-7;;;/h2-5H,6H2,(H,8,9,10);1H;;/q;;2*+1/p-2.
What are the key properties of sodium chloro-[4-(sulfonatomethyl)phenyl]mercury?
sodium chloro-[4-(sulfonatomethyl)phenyl]mercury has a molecular weight of 429.22 g/mol, XLogP of -2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium chloro-[4-(sulfonatomethyl)phenyl]mercury is sourced from PubChem (CID 23719479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).