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

C19H15Cl2NO6S — CID 140834085

IUPAC[2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C19H15Cl2NO6S/c1-11(23)27-16-17(24)19(2,14-9-8-12(20)10-15(14)21)28-18(16)22-29(25,26)13-6-4-3-5-7-13/h3-10,22H,1-2H3
InChIKeyBNVNRHKMVNIQOR-UHFFFAOYSA-N
MW456.30 g/mol
LogP3.52
Rot. Bonds5

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

[2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140834085) has the molecular formula C19H15Cl2NO6S and a molecular weight of 456.30 g/mol. Its IUPAC name is [2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140834085
Molecular FormulaC19H15Cl2NO6S
Molecular Weight456.30 g/mol
Exact Mass455.00
IUPAC Name[2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C19H15Cl2NO6S/c1-11(23)27-16-17(24)19(2,14-9-8-12(20)10-15(14)21)28-18(16)22-29(25,26)13-6-4-3-5-7-13/h3-10,22H,1-2H3
InChIKeyBNVNRHKMVNIQOR-UHFFFAOYSA-N
XLogP3.52
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 140834085) is [2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of [2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is BNVNRHKMVNIQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO6S/c1-11(23)27-16-17(24)19(2,14-9-8-12(20)10-15(14)21)28-18(16)22-29(25,26)13-6-4-3-5-7-13/h3-10,22H,1-2H3.
What are the key properties of [2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 456.30 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140834085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).