4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide

C14H15NO3STe — CID 155523492

IUPAC4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide
SMILESCOc1ccc([Te]Cc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)
InChIKeyCEIMVJWUNWLWTP-UHFFFAOYSA-N
MW404.95 g/mol
LogP0.87
Rot. Bonds5

About 4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide

4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide (PubChem CID 155523492) has the molecular formula C14H15NO3STe and a molecular weight of 404.95 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide
PubChem CID155523492
Molecular FormulaC14H15NO3STe
Molecular Weight404.95 g/mol
Exact Mass406.98
IUPAC Name4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide
SMILESCOc1ccc([Te]Cc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)
InChIKeyCEIMVJWUNWLWTP-UHFFFAOYSA-N
XLogP0.87
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.95
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide?
The IUPAC name of 4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide (CID 155523492) is 4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide?
The canonical SMILES for 4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide is COc1ccc([Te]Cc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide?
The InChIKey is CEIMVJWUNWLWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17).
What are the key properties of 4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide?
4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide has a molecular weight of 404.95 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)tellanylmethyl]benzenesulfonamide is sourced from PubChem (CID 155523492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).