[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate

C17H16F2N2O5S — CID 8506195

IUPAC[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
SMILESCCN(C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O5S/c1-2-21(12-5-3-11(18)4-6-12)16(22)10-26-17(23)14-9-13(27(20,24)25)7-8-15(14)19/h3-9H,2,10H2,1H3,(H2,20,24,25)
InChIKeyAGMMTYQMXPGZPL-UHFFFAOYSA-N
MW398.39 g/mol
LogP1.82
Rot. Bonds6

About [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate

[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate (PubChem CID 8506195) has the molecular formula C17H16F2N2O5S and a molecular weight of 398.39 g/mol. Its IUPAC name is [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
PubChem CID8506195
Molecular FormulaC17H16F2N2O5S
Molecular Weight398.39 g/mol
Exact Mass398.07
IUPAC Name[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
SMILESCCN(C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O5S/c1-2-21(12-5-3-11(18)4-6-12)16(22)10-26-17(23)14-9-13(27(20,24)25)7-8-15(14)19/h3-9H,2,10H2,1H3,(H2,20,24,25)
InChIKeyAGMMTYQMXPGZPL-UHFFFAOYSA-N
XLogP1.82
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 8506177
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 7874588
propyl 2-fluoro-5-sulfamoylbenzoate
CID 35544265
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8563364
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7612366
[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18127628
[2-(N-methylanilino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976405
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 7887108
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672953
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512419
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7489475
[2-(diethylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 61317153

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate?
The IUPAC name of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate (CID 8506195) is [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate.
What is the SMILES notation for [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate?
The canonical SMILES for [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate is CCN(C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccc(F)cc1.
What is the InChIKey of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate?
The InChIKey is AGMMTYQMXPGZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O5S/c1-2-21(12-5-3-11(18)4-6-12)16(22)10-26-17(23)14-9-13(27(20,24)25)7-8-15(14)19/h3-9H,2,10H2,1H3,(H2,20,24,25).
What are the key properties of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate?
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate has a molecular weight of 398.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate is sourced from PubChem (CID 8506195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).