[5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate

C11H11NO7S — CID 90081019

IUPAC[5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate
SMILESCC(=O)Oc1c(NS(C)(=O)=O)oc(-c2ccco2)c1O
InChIInChI=1S/C11H11NO7S/c1-6(13)18-10-8(14)9(7-4-3-5-17-7)19-11(10)12-20(2,15)16/h3-5,12,14H,1-2H3
InChIKeySQOTZKJTDZTYIJ-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.54
Rot. Bonds4

About [5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate

[5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate (PubChem CID 90081019) has the molecular formula C11H11NO7S and a molecular weight of 301.28 g/mol. Its IUPAC name is [5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate.

Molecular Properties

Compound Name[5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate
PubChem CID90081019
Molecular FormulaC11H11NO7S
Molecular Weight301.28 g/mol
Exact Mass301.03
IUPAC Name[5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate
SMILESCC(=O)Oc1c(NS(C)(=O)=O)oc(-c2ccco2)c1O
InChIInChI=1S/C11H11NO7S/c1-6(13)18-10-8(14)9(7-4-3-5-17-7)19-11(10)12-20(2,15)16/h3-5,12,14H,1-2H3
InChIKeySQOTZKJTDZTYIJ-UHFFFAOYSA-N
XLogP1.54
TPSA118.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate?
The IUPAC name of [5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate (CID 90081019) is [5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate.
What is the SMILES notation for [5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate?
The canonical SMILES for [5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate is CC(=O)Oc1c(NS(C)(=O)=O)oc(-c2ccco2)c1O.
What is the InChIKey of [5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate?
The InChIKey is SQOTZKJTDZTYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO7S/c1-6(13)18-10-8(14)9(7-4-3-5-17-7)19-11(10)12-20(2,15)16/h3-5,12,14H,1-2H3.
What are the key properties of [5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate?
[5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate has a molecular weight of 301.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate is sourced from PubChem (CID 90081019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).