[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate

C18H18ClFN2O5S — CID 29143175

IUPAC[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)Cc2ccccc2F)ccc1Cl
InChIInChI=1S/C18H18ClFN2O5S/c1-22(2)28(25,26)16-10-13(7-8-14(16)19)21-17(23)11-27-18(24)9-12-5-3-4-6-15(12)20/h3-8,10H,9,11H2,1-2H3,(H,21,23)
InChIKeyILDLVJMKPAHCAW-UHFFFAOYSA-N
MW428.87 g/mol
LogP2.45
Rot. Bonds7

About [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 29143175) has the molecular formula C18H18ClFN2O5S and a molecular weight of 428.87 g/mol. Its IUPAC name is [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID29143175
Molecular FormulaC18H18ClFN2O5S
Molecular Weight428.87 g/mol
Exact Mass428.06
IUPAC Name[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)Cc2ccccc2F)ccc1Cl
InChIInChI=1S/C18H18ClFN2O5S/c1-22(2)28(25,26)16-10-13(7-8-14(16)19)21-17(23)11-27-18(24)9-12-5-3-4-6-15(12)20/h3-8,10H,9,11H2,1-2H3,(H,21,23)
InChIKeyILDLVJMKPAHCAW-UHFFFAOYSA-N
XLogP2.45
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate 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-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 29143175) is [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate is CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)Cc2ccccc2F)ccc1Cl.
What is the InChIKey of [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is ILDLVJMKPAHCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O5S/c1-22(2)28(25,26)16-10-13(7-8-14(16)19)21-17(23)11-27-18(24)9-12-5-3-4-6-15(12)20/h3-8,10H,9,11H2,1-2H3,(H,21,23).
What are the key properties of [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 428.87 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 29143175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).