[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate

C22H16ClF2NO5S — CID 2360507

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H16ClF2NO5S/c1-26(17-8-6-16(25)7-9-17)32(29,30)18-10-11-20(23)19(12-18)22(28)31-13-21(27)14-2-4-15(24)5-3-14/h2-12H,13H2,1H3
InChIKeyXKLKXADSJYOEBO-UHFFFAOYSA-N
MW479.89 g/mol
LogP4.48
Rot. Bonds7

About [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate

[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate (PubChem CID 2360507) has the molecular formula C22H16ClF2NO5S and a molecular weight of 479.89 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
PubChem CID2360507
Molecular FormulaC22H16ClF2NO5S
Molecular Weight479.89 g/mol
Exact Mass479.04
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H16ClF2NO5S/c1-26(17-8-6-16(25)7-9-17)32(29,30)18-10-11-20(23)19(12-18)22(28)31-13-21(27)14-2-4-15(24)5-3-14/h2-12H,13H2,1H3
InChIKeyXKLKXADSJYOEBO-UHFFFAOYSA-N
XLogP4.48
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.89
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate (CID 2360507) is [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate?
The InChIKey is XKLKXADSJYOEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2NO5S/c1-26(17-8-6-16(25)7-9-17)32(29,30)18-10-11-20(23)19(12-18)22(28)31-13-21(27)14-2-4-15(24)5-3-14/h2-12H,13H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate has a molecular weight of 479.89 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 2360507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).