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

C14H14ClNO6S — CID 118262111

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

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

[5-(4-chlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 118262111) has the molecular formula C14H14ClNO6S and a molecular weight of 359.79 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID118262111
Molecular FormulaC14H14ClNO6S
Molecular Weight359.79 g/mol
Exact Mass359.02
IUPAC Name[5-(4-chlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(C)(=O)=O)OC(C)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H14ClNO6S/c1-8(17)21-11-12(18)14(2,9-4-6-10(15)7-5-9)22-13(11)16-23(3,19)20/h4-7,16H,1-3H3
InChIKeyWXMLNNMYMQAIPP-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

[2-Amino-5-(4-chloro-3-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080619
[2-Amino-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90080704
[2-Amino-5-(4-chloro-2-fluorophenyl)-4-oxofuran-3-yl] acetate
CID 90080846
[2-Amino-5-(2-chloro-5-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90080890
[2-Amino-5-(4-chloro-3-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90081009
[2-Amino-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90081142
[2-Amino-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90081361
[2-Amino-5-(3-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90081818
[2-Amino-5-(2-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90082000
[2-Amino-5-(3-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 90082062
N-[5-(3-chloro-4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
CID 132139301
[2-(3-Bromopropylsulfonylamino)-5-(5-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 132139331

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [5-(4-chlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate (CID 118262111) is [5-(4-chlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [5-(4-chlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [5-(4-chlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(NS(C)(=O)=O)OC(C)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of [5-(4-chlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is WXMLNNMYMQAIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO6S/c1-8(17)21-11-12(18)14(2,9-4-6-10(15)7-5-9)22-13(11)16-23(3,19)20/h4-7,16H,1-3H3.
What are the key properties of [5-(4-chlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate?
[5-(4-chlorophenyl)-2-(methanesulfonamido)-5-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)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 118262111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).