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

C22H18N2O6S — CID 140834438

IUPAC[2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2ccnc3ccccc23)C1=O
InChIInChI=1S/C22H18N2O6S/c1-14(25)29-19-20(26)22(2,17-12-13-23-18-11-7-6-10-16(17)18)30-21(19)24-31(27,28)15-8-4-3-5-9-15/h3-13,24H,1-2H3
InChIKeyHBNIOBSZZPOZNX-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.76
Rot. Bonds5

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

[2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate (PubChem CID 140834438) has the molecular formula C22H18N2O6S and a molecular weight of 438.46 g/mol. Its IUPAC name is [2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate
PubChem CID140834438
Molecular FormulaC22H18N2O6S
Molecular Weight438.46 g/mol
Exact Mass438.09
IUPAC Name[2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2ccnc3ccccc23)C1=O
InChIInChI=1S/C22H18N2O6S/c1-14(25)29-19-20(26)22(2,17-12-13-23-18-11-7-6-10-16(17)18)30-21(19)24-31(27,28)15-8-4-3-5-9-15/h3-13,24H,1-2H3
InChIKeyHBNIOBSZZPOZNX-UHFFFAOYSA-N
XLogP2.76
TPSA111.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate?
The IUPAC name of [2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate (CID 140834438) is [2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate.
What is the SMILES notation for [2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate?
The canonical SMILES for [2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate is CC(=O)OC1=C(NS(=O)(=O)c2ccccc2)OC(C)(c2ccnc3ccccc23)C1=O.
What is the InChIKey of [2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate?
The InChIKey is HBNIOBSZZPOZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O6S/c1-14(25)29-19-20(26)22(2,17-12-13-23-18-11-7-6-10-16(17)18)30-21(19)24-31(27,28)15-8-4-3-5-9-15/h3-13,24H,1-2H3.
What are the key properties of [2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate?
[2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate has a molecular weight of 438.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonamido)-5-methyl-4-oxo-5-quinolin-4-ylfuran-3-yl] acetate is sourced from PubChem (CID 140834438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).