2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate

C15H14INO5S — CID 34125400

IUPAC2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C15H14INO5S/c16-12-3-1-11(2-4-12)15(18)22-10-9-21-13-5-7-14(8-6-13)23(17,19)20/h1-8H,9-10H2,(H2,17,19,20)
InChIKeyVJEZJMSONXUMCY-UHFFFAOYSA-N
MW447.25 g/mol
LogP2.17
Rot. Bonds6

About 2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate

2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate (PubChem CID 34125400) has the molecular formula C15H14INO5S and a molecular weight of 447.25 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate
PubChem CID34125400
Molecular FormulaC15H14INO5S
Molecular Weight447.25 g/mol
Exact Mass446.96
IUPAC Name2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C15H14INO5S/c16-12-3-1-11(2-4-12)15(18)22-10-9-21-13-5-7-14(8-6-13)23(17,19)20/h1-8H,9-10H2,(H2,17,19,20)
InChIKeyVJEZJMSONXUMCY-UHFFFAOYSA-N
XLogP2.17
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
CID 34129136
butyl 4-sulfamoylbenzoate
CID 23274639
4-[2-(4-iodophenoxy)ethoxy]benzenesulfonic acid
CID 170531267
4-(4-iodophenoxy)benzenesulfonamide
CID 43164749
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
2-(4-chlorophenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 2602447
2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
CID 34429524
2,3,5,6-tetrafluoro-4-[2-(4-iodobenzoyl)oxyethoxy]benzenesulfonic acid
CID 176596866
2-(4-sulfamoylphenoxy)ethyl 2-chloro-4,5-difluorobenzoate
CID 9229725
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 40661255
2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate
CID 35193490

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate (CID 34125400) is 2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate is NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate?
The InChIKey is VJEZJMSONXUMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO5S/c16-12-3-1-11(2-4-12)15(18)22-10-9-21-13-5-7-14(8-6-13)23(17,19)20/h1-8H,9-10H2,(H2,17,19,20).
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate?
2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate has a molecular weight of 447.25 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate is sourced from PubChem (CID 34125400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).