[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate

C18H17BrN2O5S — CID 2551446

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1Br)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H17BrN2O5S/c19-14-6-2-4-8-16(14)27(24,25)20-11-18(23)26-12-17(22)21-10-9-13-5-1-3-7-15(13)21/h1-8,20H,9-12H2
InChIKeyHAQOMDLZLJLEJL-UHFFFAOYSA-N
MW453.31 g/mol
LogP1.86
Rot. Bonds6

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate (PubChem CID 2551446) has the molecular formula C18H17BrN2O5S and a molecular weight of 453.31 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate
PubChem CID2551446
Molecular FormulaC18H17BrN2O5S
Molecular Weight453.31 g/mol
Exact Mass452.00
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1ccccc1Br)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H17BrN2O5S/c19-14-6-2-4-8-16(14)27(24,25)20-11-18(23)26-12-17(22)21-10-9-13-5-1-3-7-15(13)21/h1-8,20H,9-12H2
InChIKeyHAQOMDLZLJLEJL-UHFFFAOYSA-N
XLogP1.86
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate (CID 2551446) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1ccccc1Br)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate?
The InChIKey is HAQOMDLZLJLEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O5S/c19-14-6-2-4-8-16(14)27(24,25)20-11-18(23)26-12-17(22)21-10-9-13-5-1-3-7-15(13)21/h1-8,20H,9-12H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate has a molecular weight of 453.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-bromophenyl)sulfonylamino]acetate is sourced from PubChem (CID 2551446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).