[2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate

C22H17ClFNO5S — CID 2435871

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C22H17ClFNO5S/c1-25(18-5-3-2-4-6-18)31(28,29)21-13-16(9-12-19(21)23)22(27)30-14-20(26)15-7-10-17(24)11-8-15/h2-13H,14H2,1H3
InChIKeyARBDHGTVMOHAGO-UHFFFAOYSA-N
MW461.90 g/mol
LogP4.34
Rot. Bonds7

About [2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate

[2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 2435871) has the molecular formula C22H17ClFNO5S and a molecular weight of 461.90 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID2435871
Molecular FormulaC22H17ClFNO5S
Molecular Weight461.90 g/mol
Exact Mass461.05
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C22H17ClFNO5S/c1-25(18-5-3-2-4-6-18)31(28,29)21-13-16(9-12-19(21)23)22(27)30-14-20(26)15-7-10-17(24)11-8-15/h2-13H,14H2,1H3
InChIKeyARBDHGTVMOHAGO-UHFFFAOYSA-N
XLogP4.34
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.90
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate (CID 2435871) is [2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate is CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is ARBDHGTVMOHAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNO5S/c1-25(18-5-3-2-4-6-18)31(28,29)21-13-16(9-12-19(21)23)22(27)30-14-20(26)15-7-10-17(24)11-8-15/h2-13H,14H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate?
[2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 461.90 g/mol, XLogP of 4.34, 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] 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2435871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).