[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate

C17H15IN2O5S — CID 46645204

IUPAC[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)c1ccccc1I
InChIInChI=1S/C17H15IN2O5S/c18-14-4-2-1-3-13(14)17(22)25-10-16(21)20-8-7-11-9-12(26(19,23)24)5-6-15(11)20/h1-6,9H,7-8,10H2,(H2,19,23,24)
InChIKeyDUXAXINQKBWTAI-UHFFFAOYSA-N
MW486.29 g/mol
LogP1.68
Rot. Bonds4

About [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate

[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate (PubChem CID 46645204) has the molecular formula C17H15IN2O5S and a molecular weight of 486.29 g/mol. Its IUPAC name is [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate
PubChem CID46645204
Molecular FormulaC17H15IN2O5S
Molecular Weight486.29 g/mol
Exact Mass485.97
IUPAC Name[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)c1ccccc1I
InChIInChI=1S/C17H15IN2O5S/c18-14-4-2-1-3-13(14)17(22)25-10-16(21)20-8-7-11-9-12(26(19,23)24)5-6-15(11)20/h1-6,9H,7-8,10H2,(H2,19,23,24)
InChIKeyDUXAXINQKBWTAI-UHFFFAOYSA-N
XLogP1.68
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate
CID 55448774
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] naphthalene-2-carboxylate
CID 27310904
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-naphthalen-1-ylacetate
CID 27309776
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55934781
1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 27316873
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55934456

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate?
The IUPAC name of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate (CID 46645204) is [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate.
What is the SMILES notation for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate?
The canonical SMILES for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)c1ccccc1I.
What is the InChIKey of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate?
The InChIKey is DUXAXINQKBWTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O5S/c18-14-4-2-1-3-13(14)17(22)25-10-16(21)20-8-7-11-9-12(26(19,23)24)5-6-15(11)20/h1-6,9H,7-8,10H2,(H2,19,23,24).
What are the key properties of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate?
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate has a molecular weight of 486.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate is sourced from PubChem (CID 46645204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).