4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide

C16H19NO4STe — CID 155512108

IUPAC4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide
SMILESCc1ccccc1[Te]CC(O)COc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19NO4STe/c1-12-4-2-3-5-16(12)23-11-13(18)10-21-14-6-8-15(9-7-14)22(17,19)20/h2-9,13,18H,10-11H2,1H3,(H2,17,19,20)
InChIKeyLUBRMGCZSLCRGL-UHFFFAOYSA-N
MW449.00 g/mol
LogP0.83
Rot. Bonds7

About 4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide

4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide (PubChem CID 155512108) has the molecular formula C16H19NO4STe and a molecular weight of 449.00 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide
PubChem CID155512108
Molecular FormulaC16H19NO4STe
Molecular Weight449.00 g/mol
Exact Mass451.01
IUPAC Name4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide
SMILESCc1ccccc1[Te]CC(O)COc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H19NO4STe/c1-12-4-2-3-5-16(12)23-11-13(18)10-21-14-6-8-15(9-7-14)22(17,19)20/h2-9,13,18H,10-11H2,1H3,(H2,17,19,20)
InChIKeyLUBRMGCZSLCRGL-UHFFFAOYSA-N
XLogP0.83
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.00
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide?
The IUPAC name of 4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide (CID 155512108) is 4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide is Cc1ccccc1[Te]CC(O)COc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide?
The InChIKey is LUBRMGCZSLCRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4STe/c1-12-4-2-3-5-16(12)23-11-13(18)10-21-14-6-8-15(9-7-14)22(17,19)20/h2-9,13,18H,10-11H2,1H3,(H2,17,19,20).
What are the key properties of 4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide?
4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide has a molecular weight of 449.00 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide is sourced from PubChem (CID 155512108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).