[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate

C15H12ClFN2O5S — CID 8620088

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H12ClFN2O5S/c16-9-4-5-13(17)12(6-9)15(21)24-8-14(20)19-10-2-1-3-11(7-10)25(18,22)23/h1-7H,8H2,(H,19,20)(H2,18,22,23)
InChIKeyYRQDHTCQWPGFDB-UHFFFAOYSA-N
MW386.79 g/mol
LogP1.92
Rot. Bonds5

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate (PubChem CID 8620088) has the molecular formula C15H12ClFN2O5S and a molecular weight of 386.79 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate
PubChem CID8620088
Molecular FormulaC15H12ClFN2O5S
Molecular Weight386.79 g/mol
Exact Mass386.01
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H12ClFN2O5S/c16-9-4-5-13(17)12(6-9)15(21)24-8-14(20)19-10-2-1-3-11(7-10)25(18,22)23/h1-7H,8H2,(H,19,20)(H2,18,22,23)
InChIKeyYRQDHTCQWPGFDB-UHFFFAOYSA-N
XLogP1.92
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
CID 7723007
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-nitrobenzoate
CID 3987525
[2-(3-chloroanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925028
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate
CID 55311692
2-(2,5-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7185045
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
[2-(3-fluoroanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18085307
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 26178371
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 42964864
[2-(3,4-dimethylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619845
[2-(3-ethylanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7993763
[2-(3-acetylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 55313015

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate (CID 8620088) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2F)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate?
The InChIKey is YRQDHTCQWPGFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O5S/c16-9-4-5-13(17)12(6-9)15(21)24-8-14(20)19-10-2-1-3-11(7-10)25(18,22)23/h1-7H,8H2,(H,19,20)(H2,18,22,23).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate has a molecular weight of 386.79 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate is sourced from PubChem (CID 8620088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).