[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate

C22H19ClN2O6S — CID 2594292

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClN2O6S/c23-19-7-3-1-5-15(19)13-30-20-8-4-2-6-18(20)22(27)31-14-21(26)25-16-9-11-17(12-10-16)32(24,28)29/h1-12H,13-14H2,(H,25,26)(H2,24,28,29)
InChIKeyNRGDAHLPYVSHEU-UHFFFAOYSA-N
MW474.92 g/mol
LogP3.36
Rot. Bonds8

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate (PubChem CID 2594292) has the molecular formula C22H19ClN2O6S and a molecular weight of 474.92 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate
PubChem CID2594292
Molecular FormulaC22H19ClN2O6S
Molecular Weight474.92 g/mol
Exact Mass474.07
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2Cl)cc1
InChIInChI=1S/C22H19ClN2O6S/c23-19-7-3-1-5-15(19)13-30-20-8-4-2-6-18(20)22(27)31-14-21(26)25-16-9-11-17(12-10-16)32(24,28)29/h1-12H,13-14H2,(H,25,26)(H2,24,28,29)
InChIKeyNRGDAHLPYVSHEU-UHFFFAOYSA-N
XLogP3.36
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,4-dichlorophenyl)methoxy]-N-(4-sulfamoylphenyl)benzamide
CID 2123312
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 2594288
3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 27568145
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-chloro-5-sulfamoylbenzoate
CID 42985637
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-ethylphenoxy)acetate
CID 2608393
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 23904435
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloro-5-nitrobenzoate
CID 5065869
[2-(4-acetylanilino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2119534
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate
CID 4841505
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497740
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994120
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 55316135

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate (CID 2594292) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2Cl)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate?
The InChIKey is NRGDAHLPYVSHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O6S/c23-19-7-3-1-5-15(19)13-30-20-8-4-2-6-18(20)22(27)31-14-21(26)25-16-9-11-17(12-10-16)32(24,28)29/h1-12H,13-14H2,(H,25,26)(H2,24,28,29).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate has a molecular weight of 474.92 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 2594292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).