[5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate

C15H16ClNO6S — CID 118262105

IUPAC[5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCS(=O)(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C15H16ClNO6S/c1-4-24(20,21)17-14-12(22-9(2)18)13(19)15(3,23-14)10-5-7-11(16)8-6-10/h5-8,17H,4H2,1-3H3
InChIKeyGCVZWVLCUNPHCJ-UHFFFAOYSA-N
MW373.81 g/mol
LogP1.83
Rot. Bonds5

About [5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate

[5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 118262105) has the molecular formula C15H16ClNO6S and a molecular weight of 373.81 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID118262105
Molecular FormulaC15H16ClNO6S
Molecular Weight373.81 g/mol
Exact Mass373.04
IUPAC Name[5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCS(=O)(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C15H16ClNO6S/c1-4-24(20,21)17-14-12(22-9(2)18)13(19)15(3,23-14)10-5-7-11(16)8-6-10/h5-8,17H,4H2,1-3H3
InChIKeyGCVZWVLCUNPHCJ-UHFFFAOYSA-N
XLogP1.83
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate 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

CID 73504550
CID 73504550
CID 73504551
CID 73504551
CID 73504552
CID 73504552
CID 73504993
CID 73504993
CID 73504997
CID 73504997
CID 73505202
CID 73505202
CID 73505203
CID 73505203
CID 73505204
CID 73505204
CID 73505205
CID 73505205
CID 73507123
CID 73507123
CID 73507341
CID 73507341
CID 90080704
CID 90080704

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate (CID 118262105) is [5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate is CCS(=O)(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2ccc(Cl)cc2)O1.
What is the InChIKey of [5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is GCVZWVLCUNPHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO6S/c1-4-24(20,21)17-14-12(22-9(2)18)13(19)15(3,23-14)10-5-7-11(16)8-6-10/h5-8,17H,4H2,1-3H3.
What are the key properties of [5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
[5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 373.81 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 118262105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).