[2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate

C19H17NO6S — CID 140833803

IUPAC[2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2ccccc2)C1=O
InChIInChI=1S/C19H17NO6S/c1-13(21)25-16-17(22)19(2,14-9-5-3-6-10-14)26-18(16)20-27(23,24)15-11-7-4-8-12-15/h3-12,20H,1-2H3
InChIKeyQEXRCQOAIJUCDQ-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.21
Rot. Bonds5

About [2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate

[2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate (PubChem CID 140833803) has the molecular formula C19H17NO6S and a molecular weight of 387.41 g/mol. Its IUPAC name is [2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate
PubChem CID140833803
Molecular FormulaC19H17NO6S
Molecular Weight387.41 g/mol
Exact Mass387.08
IUPAC Name[2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2ccccc2)C1=O
InChIInChI=1S/C19H17NO6S/c1-13(21)25-16-17(22)19(2,14-9-5-3-6-10-14)26-18(16)20-27(23,24)15-11-7-4-8-12-15/h3-12,20H,1-2H3
InChIKeyQEXRCQOAIJUCDQ-UHFFFAOYSA-N
XLogP2.21
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate?
The IUPAC name of [2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate (CID 140833803) is [2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate.
What is the SMILES notation for [2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate?
The canonical SMILES for [2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate is CC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2ccccc2)C1=O.
What is the InChIKey of [2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate?
The InChIKey is QEXRCQOAIJUCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S/c1-13(21)25-16-17(22)19(2,14-9-5-3-6-10-14)26-18(16)20-27(23,24)15-11-7-4-8-12-15/h3-12,20H,1-2H3.
What are the key properties of [2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate?
[2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate has a molecular weight of 387.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate is sourced from PubChem (CID 140833803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).