[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate

C22H17F3N2O5S — CID 42964864

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H17F3N2O5S/c23-22(24,25)15-10-8-14(9-11-15)18-6-1-2-7-19(18)21(29)32-13-20(28)27-16-4-3-5-17(12-16)33(26,30)31/h1-12H,13H2,(H,27,28)(H2,26,30,31)
InChIKeyISVOSFLKNHCFAO-UHFFFAOYSA-N
MW478.45 g/mol
LogP3.82
Rot. Bonds6

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate (PubChem CID 42964864) has the molecular formula C22H17F3N2O5S and a molecular weight of 478.45 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
PubChem CID42964864
Molecular FormulaC22H17F3N2O5S
Molecular Weight478.45 g/mol
Exact Mass478.08
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H17F3N2O5S/c23-22(24,25)15-10-8-14(9-11-15)18-6-1-2-7-19(18)21(29)32-13-20(28)27-16-4-3-5-17(12-16)33(26,30)31/h1-12H,13H2,(H,27,28)(H2,26,30,31)
InChIKeyISVOSFLKNHCFAO-UHFFFAOYSA-N
XLogP3.82
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate
CID 8620088
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2432236
[2-(4-nitroanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 5080642
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
CID 7723007
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2441220
[2-(2-methoxyanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2406143
[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229076
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-ethylsulfonylbenzoate
CID 8854856
[2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate
CID 5029047
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131651
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate
CID 2344876
2-[4-(trifluoromethyl)phenyl]-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3249921

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate (CID 42964864) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate?
The InChIKey is ISVOSFLKNHCFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O5S/c23-22(24,25)15-10-8-14(9-11-15)18-6-1-2-7-19(18)21(29)32-13-20(28)27-16-4-3-5-17(12-16)33(26,30)31/h1-12H,13H2,(H,27,28)(H2,26,30,31).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate has a molecular weight of 478.45 g/mol, XLogP of 3.82, 6 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] 2-[4-(trifluoromethyl)phenyl]benzoate is sourced from PubChem (CID 42964864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).