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

C15H16ClNO6S — CID 140681884

IUPAC[5-(4-chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate
SMILESCCS(=O)(=O)NC1(c2ccc(Cl)cc2)OC(C)=C(OC(C)=O)C1=O
InChIInChI=1S/C15H16ClNO6S/c1-4-24(20,21)17-15(11-5-7-12(16)8-6-11)14(19)13(9(2)23-15)22-10(3)18/h5-8,17H,4H2,1-3H3
InChIKeyGLDUQGORZBPGTG-UHFFFAOYSA-N
MW373.81 g/mol
LogP1.83
Rot. Bonds5

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

[5-(4-chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140681884) has the molecular formula C15H16ClNO6S and a molecular weight of 373.81 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate
PubChem CID140681884
Molecular FormulaC15H16ClNO6S
Molecular Weight373.81 g/mol
Exact Mass373.04
IUPAC Name[5-(4-chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate
SMILESCCS(=O)(=O)NC1(c2ccc(Cl)cc2)OC(C)=C(OC(C)=O)C1=O
InChIInChI=1S/C15H16ClNO6S/c1-4-24(20,21)17-15(11-5-7-12(16)8-6-11)14(19)13(9(2)23-15)22-10(3)18/h5-8,17H,4H2,1-3H3
InChIKeyGLDUQGORZBPGTG-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

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Related Compounds

[5-(4-Chloro-2-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833917
[5-(4-Chloro-3-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834197
2-(4-chlorophenyl)-4-[[ethylsulfonyl]oxy]-5-amino-3(2H)-furanone
CID 73506254
2-(4-chlorophenyl)-4-[[1-propylsulfonyl]oxy]-5-amino-3(2H)-furanone
CID 73506255
2-(4-chlorophenyl)-4-[[2-propylsulfonyl]oxy]-5-amino-3(2H)-furanone
CID 73506256
2-(4-chlorophenyl)-4-[[1-butylsulfonyl]oxy]-5-amino-3(2H)-furanone
CID 73506257
[2-Amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] 2-methylpropane-1-sulfonate
CID 90087312
[5-(4-Chlorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 118262105
[5-(4-Chlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
CID 118262111
[2-(3-Bromopropylsulfonylamino)-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 118262112
[(5R)-2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] propane-2-sulfonate
CID 135212750
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide
CID 140681887

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [5-(4-chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate (CID 140681884) is [5-(4-chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [5-(4-chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [5-(4-chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate is CCS(=O)(=O)NC1(c2ccc(Cl)cc2)OC(C)=C(OC(C)=O)C1=O.
What is the InChIKey of [5-(4-chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is GLDUQGORZBPGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO6S/c1-4-24(20,21)17-15(11-5-7-12(16)8-6-11)14(19)13(9(2)23-15)22-10(3)18/h5-8,17H,4H2,1-3H3.
What are the key properties of [5-(4-chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate?
[5-(4-chlorophenyl)-5-(ethylsulfonylamino)-2-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)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140681884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).