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

C15H15ClFNO6S — CID 140833631

IUPAC[5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCS(=O)(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2cc(F)ccc2Cl)O1
InChIInChI=1S/C15H15ClFNO6S/c1-4-25(21,22)18-14-12(23-8(2)19)13(20)15(3,24-14)10-7-9(17)5-6-11(10)16/h5-7,18H,4H2,1-3H3
InChIKeyRORSYZYGTJMUAQ-UHFFFAOYSA-N
MW391.80 g/mol
LogP1.97
Rot. Bonds5

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

[5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140833631) has the molecular formula C15H15ClFNO6S and a molecular weight of 391.80 g/mol. Its IUPAC name is [5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140833631
Molecular FormulaC15H15ClFNO6S
Molecular Weight391.80 g/mol
Exact Mass391.03
IUPAC Name[5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCS(=O)(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2cc(F)ccc2Cl)O1
InChIInChI=1S/C15H15ClFNO6S/c1-4-25(21,22)18-14-12(23-8(2)19)13(20)15(3,24-14)10-7-9(17)5-6-11(10)16/h5-7,18H,4H2,1-3H3
InChIKeyRORSYZYGTJMUAQ-UHFFFAOYSA-N
XLogP1.97
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.80
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(2-chloro-5-fluorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate (CID 140833631) is [5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate is CCS(=O)(=O)NC1=C(OC(C)=O)C(=O)C(C)(c2cc(F)ccc2Cl)O1.
What is the InChIKey of [5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is RORSYZYGTJMUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO6S/c1-4-25(21,22)18-14-12(23-8(2)19)13(20)15(3,24-14)10-7-9(17)5-6-11(10)16/h5-7,18H,4H2,1-3H3.
What are the key properties of [5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate?
[5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 391.80 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140833631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).