N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide

C19H19FN2O5S — CID 90132860

IUPACN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NS(=O)(=O)CF
InChIInChI=1S/C19H19FN2O5S/c1-10(2)11-6-7-12-15(8-11)27-19(24)13-4-3-5-14(21)16(13)17(23)18(12,19)22-28(25,26)9-20/h3-8,10,22,24H,9,21H2,1-2H3
InChIKeyQZOIJJXRQPCEFF-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.87
Rot. Bonds4

About N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide (PubChem CID 90132860) has the molecular formula C19H19FN2O5S and a molecular weight of 406.44 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide
PubChem CID90132860
Molecular FormulaC19H19FN2O5S
Molecular Weight406.44 g/mol
Exact Mass406.10
IUPAC NameN-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NS(=O)(=O)CF
InChIInChI=1S/C19H19FN2O5S/c1-10(2)11-6-7-12-15(8-11)27-19(24)13-4-3-5-14(21)16(13)17(23)18(12,19)22-28(25,26)9-20/h3-8,10,22,24H,9,21H2,1-2H3
InChIKeyQZOIJJXRQPCEFF-UHFFFAOYSA-N
XLogP1.87
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide?
The IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide (CID 90132860) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide.
What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide?
The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide is CC(C)c1ccc2c(c1)OC1(O)c3cccc(N)c3C(=O)C21NS(=O)(=O)CF.
What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide?
The InChIKey is QZOIJJXRQPCEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5S/c1-10(2)11-6-7-12-15(8-11)27-19(24)13-4-3-5-14(21)16(13)17(23)18(12,19)22-28(25,26)9-20/h3-8,10,22,24H,9,21H2,1-2H3.
What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide?
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide has a molecular weight of 406.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1-fluoromethanesulfonamide is sourced from PubChem (CID 90132860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).