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

C14H14ClNO6S — CID 140681889

IUPAC[5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(C)OC(NS(C)(=O)=O)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H14ClNO6S/c1-8-12(21-9(2)17)13(18)14(22-8,16-23(3,19)20)10-4-6-11(15)7-5-10/h4-7,16H,1-3H3
InChIKeyVXKRQMYKNMJQBR-UHFFFAOYSA-N
MW359.79 g/mol
LogP1.44
Rot. Bonds4

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

[5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140681889) has the molecular formula C14H14ClNO6S and a molecular weight of 359.79 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate
PubChem CID140681889
Molecular FormulaC14H14ClNO6S
Molecular Weight359.79 g/mol
Exact Mass359.02
IUPAC Name[5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(C)OC(NS(C)(=O)=O)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H14ClNO6S/c1-8-12(21-9(2)17)13(18)14(22-8,16-23(3,19)20)10-4-6-11(15)7-5-10/h4-7,16H,1-3H3
InChIKeyVXKRQMYKNMJQBR-UHFFFAOYSA-N
XLogP1.44
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 51.44
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-2-fluorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834013
[5-(4-Chloro-3-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834197
[5-(4-Chloro-3-fluorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834428
2-(4-chlorophenyl)-4-[[methylsulfonyl]oxy]-5-amino-3(2H)-furanone
CID 73506253
[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
[5-(4-Chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681884
[5-Acetamido-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681885
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide
CID 140681887
[5-(4-Chlorophenyl)-5-(ethoxycarbonylamino)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681888
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]ethanesulfonamide
CID 140681894

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate (CID 140681889) is [5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(C)OC(NS(C)(=O)=O)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of [5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is VXKRQMYKNMJQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO6S/c1-8-12(21-9(2)17)13(18)14(22-8,16-23(3,19)20)10-4-6-11(15)7-5-10/h4-7,16H,1-3H3.
What are the key properties of [5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate?
[5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 359.79 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140681889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).