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

C23H20N2O5S — CID 55448774

IUPAC[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H20N2O5S/c24-31(28,29)18-10-11-21-17(14-18)12-13-25(21)22(26)15-30-23(27)20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H2,24,28,29)
InChIKeySIPCUROTYPGBGE-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.75
Rot. Bonds5

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

[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate (PubChem CID 55448774) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate
PubChem CID55448774
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC Name[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H20N2O5S/c24-31(28,29)18-10-11-21-17(14-18)12-13-25(21)22(26)15-30-23(27)20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H2,24,28,29)
InChIKeySIPCUROTYPGBGE-UHFFFAOYSA-N
XLogP2.75
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate
CID 46645204
[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-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-[2-(2,4,5-trichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 27316873
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoate
CID 166196741
1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18286340

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate?
The IUPAC name of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate (CID 55448774) is [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate?
The canonical SMILES for [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate?
The InChIKey is SIPCUROTYPGBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S/c24-31(28,29)18-10-11-21-17(14-18)12-13-25(21)22(26)15-30-23(27)20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H2,24,28,29).
What are the key properties of [2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate?
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate has a molecular weight of 436.49 g/mol, XLogP of 2.75, 5 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-phenylbenzoate is sourced from PubChem (CID 55448774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).