[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate

C17H16F2N2O5S — CID 2103334

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O5S/c18-12-3-6-14(15(19)9-12)17(23)26-10-16(22)21-8-7-11-1-4-13(5-2-11)27(20,24)25/h1-6,9H,7-8,10H2,(H,21,22)(H2,20,24,25)
InChIKeyVFDJXXPNYOQKRB-UHFFFAOYSA-N
MW398.39 g/mol
LogP1.13
Rot. Bonds7

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate (PubChem CID 2103334) has the molecular formula C17H16F2N2O5S and a molecular weight of 398.39 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate
PubChem CID2103334
Molecular FormulaC17H16F2N2O5S
Molecular Weight398.39 g/mol
Exact Mass398.07
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O5S/c18-12-3-6-14(15(19)9-12)17(23)26-10-16(22)21-8-7-11-1-4-13(5-2-11)27(20,24)25/h1-6,9H,7-8,10H2,(H,21,22)(H2,20,24,25)
InChIKeyVFDJXXPNYOQKRB-UHFFFAOYSA-N
XLogP1.13
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 30149057
2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 9046240
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 7863944
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,5-dimethoxybenzoate
CID 16556676
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 7767128
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate
CID 24671488
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate
CID 2689452
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722923
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2,4-difluorobenzoate
CID 9200274
[2-(benzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2338039
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate
CID 7891668
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate (CID 2103334) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate is NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate?
The InChIKey is VFDJXXPNYOQKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O5S/c18-12-3-6-14(15(19)9-12)17(23)26-10-16(22)21-8-7-11-1-4-13(5-2-11)27(20,24)25/h1-6,9H,7-8,10H2,(H,21,22)(H2,20,24,25).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate has a molecular weight of 398.39 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate is sourced from PubChem (CID 2103334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).