(N-benzylsulfonylanilino)-ethylmercury

C15H17HgNO2S — CID 70564903

IUPAC(N-benzylsulfonylanilino)-ethylmercury
SMILESCC[Hg]N(c1ccccc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H12NO2S.C2H5.Hg/c15-17(16,11-12-7-3-1-4-8-12)14-13-9-5-2-6-10-13;1-2;/h1-10H,11H2;1H2,2H3;/q-1;;+1
InChIKeyXSOUCRSTWNSDOH-UHFFFAOYSA-N
MW475.96 g/mol
LogP3.46
Rot. Bonds6

About (N-benzylsulfonylanilino)-ethylmercury

(N-benzylsulfonylanilino)-ethylmercury (PubChem CID 70564903) has the molecular formula C15H17HgNO2S and a molecular weight of 475.96 g/mol. Its IUPAC name is (N-benzylsulfonylanilino)-ethylmercury.

Molecular Properties

Compound Name(N-benzylsulfonylanilino)-ethylmercury
PubChem CID70564903
Molecular FormulaC15H17HgNO2S
Molecular Weight475.96 g/mol
Exact Mass477.07
IUPAC Name(N-benzylsulfonylanilino)-ethylmercury
SMILESCC[Hg]N(c1ccccc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H12NO2S.C2H5.Hg/c15-17(16,11-12-7-3-1-4-8-12)14-13-9-5-2-6-10-13;1-2;/h1-10H,11H2;1H2,2H3;/q-1;;+1
InChIKeyXSOUCRSTWNSDOH-UHFFFAOYSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.96
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (N-benzylsulfonylanilino)-ethylmercury?
The IUPAC name of (N-benzylsulfonylanilino)-ethylmercury (CID 70564903) is (N-benzylsulfonylanilino)-ethylmercury.
What is the SMILES notation for (N-benzylsulfonylanilino)-ethylmercury?
The canonical SMILES for (N-benzylsulfonylanilino)-ethylmercury is CC[Hg]N(c1ccccc1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of (N-benzylsulfonylanilino)-ethylmercury?
The InChIKey is XSOUCRSTWNSDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12NO2S.C2H5.Hg/c15-17(16,11-12-7-3-1-4-8-12)14-13-9-5-2-6-10-13;1-2;/h1-10H,11H2;1H2,2H3;/q-1;;+1.
What are the key properties of (N-benzylsulfonylanilino)-ethylmercury?
(N-benzylsulfonylanilino)-ethylmercury has a molecular weight of 475.96 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N-benzylsulfonylanilino)-ethylmercury is sourced from PubChem (CID 70564903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).