[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate

C20H19Cl2FN2O6S — CID 25037483

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c(Cl)cc1Cl)NCC1CCCO1
InChIInChI=1S/C20H19Cl2FN2O6S/c21-14-9-15(22)18(32(28,29)25-17-6-2-1-5-16(17)23)8-13(14)20(27)31-11-19(26)24-10-12-4-3-7-30-12/h1-2,5-6,8-9,12,25H,3-4,7,10-11H2,(H,24,26)
InChIKeyWKYCGOKPIDTAJH-UHFFFAOYSA-N
MW505.35 g/mol
LogP3.39
Rot. Bonds8

About [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate (PubChem CID 25037483) has the molecular formula C20H19Cl2FN2O6S and a molecular weight of 505.35 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate
PubChem CID25037483
Molecular FormulaC20H19Cl2FN2O6S
Molecular Weight505.35 g/mol
Exact Mass504.03
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c(Cl)cc1Cl)NCC1CCCO1
InChIInChI=1S/C20H19Cl2FN2O6S/c21-14-9-15(22)18(32(28,29)25-17-6-2-1-5-16(17)23)8-13(14)20(27)31-11-19(26)24-10-12-4-3-7-30-12/h1-2,5-6,8-9,12,25H,3-4,7,10-11H2,(H,24,26)
InChIKeyWKYCGOKPIDTAJH-UHFFFAOYSA-N
XLogP3.39
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 25045002
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-chlorobenzoate
CID 2362816
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-chloro-5-[(4-iodophenyl)sulfamoyl]benzoate
CID 25042472
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 42902278
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2,3-dichlorobenzoate
CID 2487426
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-[(4-bromophenyl)sulfamoyl]-4-chlorobenzoate
CID 25040907
4-[(2-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24980882
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2496418
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3,4-dichlorobenzoate
CID 7864832
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 40821094
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40821093

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate (CID 25037483) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate is O=C(COC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c(Cl)cc1Cl)NCC1CCCO1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate?
The InChIKey is WKYCGOKPIDTAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN2O6S/c21-14-9-15(22)18(32(28,29)25-17-6-2-1-5-16(17)23)8-13(14)20(27)31-11-19(26)24-10-12-4-3-7-30-12/h1-2,5-6,8-9,12,25H,3-4,7,10-11H2,(H,24,26).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate has a molecular weight of 505.35 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 25037483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).