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

C19H16ClNO6S — CID 140681896

IUPAC[5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(C)OC(NS(=O)(=O)c2ccccc2)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H16ClNO6S/c1-12-17(26-13(2)22)18(23)19(27-12,14-8-10-15(20)11-9-14)21-28(24,25)16-6-4-3-5-7-16/h3-11,21H,1-2H3
InChIKeyBVDTYEBQADYBAC-UHFFFAOYSA-N
MW421.86 g/mol
LogP2.87
Rot. Bonds5

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

[5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate (PubChem CID 140681896) has the molecular formula C19H16ClNO6S and a molecular weight of 421.86 g/mol. Its IUPAC name is [5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
PubChem CID140681896
Molecular FormulaC19H16ClNO6S
Molecular Weight421.86 g/mol
Exact Mass421.04
IUPAC Name[5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(C)OC(NS(=O)(=O)c2ccccc2)(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H16ClNO6S/c1-12-17(26-13(2)22)18(23)19(27-12,14-8-10-15(20)11-9-14)21-28(24,25)16-6-4-3-5-7-16/h3-11,21H,1-2H3
InChIKeyBVDTYEBQADYBAC-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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Related Compounds

[2-(Benzenesulfonamido)-5-(4-chloro-3-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833926
[2-(Benzenesulfonamido)-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833961
[2-(Benzenesulfonamido)-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 118262106
[5-(4-Chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681884
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide
CID 140681887
[5-(4-Chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681889
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]ethanesulfonamide
CID 140681894
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide
CID 140681901
[2-(Benzenesulfonamido)-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833674
[2-(Benzenesulfonamido)-5-(2,4-dichlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834085
[2-(Benzenesulfonamido)-5-(2-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834182
[5-(4-Chlorophenyl)-5-(ethenylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate
CID 141631182

Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate (CID 140681896) is [5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(C)OC(NS(=O)(=O)c2ccccc2)(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of [5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is BVDTYEBQADYBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO6S/c1-12-17(26-13(2)22)18(23)19(27-12,14-8-10-15(20)11-9-14)21-28(24,25)16-6-4-3-5-7-16/h3-11,21H,1-2H3.
What are the key properties of [5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate?
[5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-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 [5-(benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140681896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).