ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury

C15H17HgNO2S — CID 10598

IUPACethyl-(N-(4-methylphenyl)sulfonylanilino)mercury
SMILESCC[Hg]N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H12NO2S.C2H5.Hg/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12;1-2;/h2-10H,1H3;1H2,2H3;/q-1;;+1
InChIKeyXAGAASDWSFGQEC-UHFFFAOYSA-N
MW475.96 g/mol
LogP3.63
Rot. Bonds5

About ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury

ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury (PubChem CID 10598) has the molecular formula C15H17HgNO2S and a molecular weight of 475.96 g/mol. Its IUPAC name is ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury.

Molecular Properties

Compound Nameethyl-(N-(4-methylphenyl)sulfonylanilino)mercury
PubChem CID10598
Molecular FormulaC15H17HgNO2S
Molecular Weight475.96 g/mol
Exact Mass477.07
IUPAC Nameethyl-(N-(4-methylphenyl)sulfonylanilino)mercury
SMILESCC[Hg]N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H12NO2S.C2H5.Hg/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12;1-2;/h2-10H,1H3;1H2,2H3;/q-1;;+1
InChIKeyXAGAASDWSFGQEC-UHFFFAOYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.96
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 146522187
N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 69007007
N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide
CID 102104553
N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3975457
3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19219305
N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
CID 20654617
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71624052

Frequently Asked Questions

What is the IUPAC name of ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury?
The IUPAC name of ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury (CID 10598) is ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury.
What is the SMILES notation for ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury?
The canonical SMILES for ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury is CC[Hg]N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury?
The InChIKey is XAGAASDWSFGQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12NO2S.C2H5.Hg/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12;1-2;/h2-10H,1H3;1H2,2H3;/q-1;;+1.
What are the key properties of ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury?
ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury has a molecular weight of 475.96 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury is sourced from PubChem (CID 10598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).