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

C14H13Cl2NO6S — CID 140833655

IUPAC[5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(C)(=O)=O)OC(C)(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C14H13Cl2NO6S/c1-7(18)22-11-12(19)14(2,23-13(11)17-24(3,20)21)9-6-8(15)4-5-10(9)16/h4-6,17H,1-3H3
InChIKeyAVDQLEPDSYXQHC-UHFFFAOYSA-N
MW394.23 g/mol
LogP2.09
Rot. Bonds4

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

[5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140833655) has the molecular formula C14H13Cl2NO6S and a molecular weight of 394.23 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140833655
Molecular FormulaC14H13Cl2NO6S
Molecular Weight394.23 g/mol
Exact Mass392.98
IUPAC Name[5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(C)(=O)=O)OC(C)(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C14H13Cl2NO6S/c1-7(18)22-11-12(19)14(2,23-13(11)17-24(3,20)21)9-6-8(15)4-5-10(9)16/h4-6,17H,1-3H3
InChIKeyAVDQLEPDSYXQHC-UHFFFAOYSA-N
XLogP2.09
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate (CID 140833655) is [5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(NS(C)(=O)=O)OC(C)(c2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of [5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is AVDQLEPDSYXQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO6S/c1-7(18)22-11-12(19)14(2,23-13(11)17-24(3,20)21)9-6-8(15)4-5-10(9)16/h4-6,17H,1-3H3.
What are the key properties of [5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate?
[5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 394.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140833655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).