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

C19H16ClNO6S — CID 140833674

IUPAC[2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C19H16ClNO6S/c1-12(22)26-16-17(23)19(2,13-7-6-8-14(20)11-13)27-18(16)21-28(24,25)15-9-4-3-5-10-15/h3-11,21H,1-2H3
InChIKeyYNZSSLMEXFVVPK-UHFFFAOYSA-N
MW421.86 g/mol
LogP2.87
Rot. Bonds5

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

[2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140833674) has the molecular formula C19H16ClNO6S and a molecular weight of 421.86 g/mol. Its IUPAC name is [2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID140833674
Molecular FormulaC19H16ClNO6S
Molecular Weight421.86 g/mol
Exact Mass421.04
IUPAC Name[2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C19H16ClNO6S/c1-12(22)26-16-17(23)19(2,13-7-6-8-14(20)11-13)27-18(16)21-28(24,25)15-9-4-3-5-10-15/h3-11,21H,1-2H3
InChIKeyYNZSSLMEXFVVPK-UHFFFAOYSA-N
XLogP2.87
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 140833674) is [2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2cccc(Cl)c2)C1=O.
What is the InChIKey of [2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is YNZSSLMEXFVVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO6S/c1-12(22)26-16-17(23)19(2,13-7-6-8-14(20)11-13)27-18(16)21-28(24,25)15-9-4-3-5-10-15/h3-11,21H,1-2H3.
What are the key properties of [2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 421.86 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140833674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).