[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate

C17H17ClN2O5S — CID 55404159

IUPAC[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(C(=O)OC(C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O5S/c1-11(16(21)20-14-7-5-13(18)6-8-14)25-17(22)12-3-9-15(10-4-12)26(23,24)19-2/h3-11,19H,1-2H3,(H,20,21)
InChIKeyOIGDRZMCZKVMDY-UHFFFAOYSA-N
MW396.85 g/mol
LogP2.43
Rot. Bonds6

About [1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate

[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate (PubChem CID 55404159) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is [1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate
PubChem CID55404159
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC Name[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(C(=O)OC(C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O5S/c1-11(16(21)20-14-7-5-13(18)6-8-14)25-17(22)12-3-9-15(10-4-12)26(23,24)19-2/h3-11,19H,1-2H3,(H,20,21)
InChIKeyOIGDRZMCZKVMDY-UHFFFAOYSA-N
XLogP2.43
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 55316848
[1-(3-methylanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate
CID 55404140
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 7775657
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 7709575
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275030
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-fluorobenzoate
CID 24686418
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629142
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 2605666
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 2371702
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 4157932
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 7744756

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate?
The IUPAC name of [1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate (CID 55404159) is [1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate.
What is the SMILES notation for [1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate?
The canonical SMILES for [1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(C(=O)OC(C)C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of [1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate?
The InChIKey is OIGDRZMCZKVMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c1-11(16(21)20-14-7-5-13(18)6-8-14)25-17(22)12-3-9-15(10-4-12)26(23,24)19-2/h3-11,19H,1-2H3,(H,20,21).
What are the key properties of [1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate?
[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate has a molecular weight of 396.85 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate is sourced from PubChem (CID 55404159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).