[2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate

C18H13F2NO6S — CID 90081480

IUPAC[2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NS(=O)(=O)c2ccccc2)oc(-c2ccc(F)c(F)c2)c1O
InChIInChI=1S/C18H13F2NO6S/c1-10(22)26-17-15(23)16(11-7-8-13(19)14(20)9-11)27-18(17)21-28(24,25)12-5-3-2-4-6-12/h2-9,21,23H,1H3
InChIKeyGCVSZRFEEPOUCK-UHFFFAOYSA-N
MW409.37 g/mol
LogP3.66
Rot. Bonds5

About [2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate

[2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90081480) has the molecular formula C18H13F2NO6S and a molecular weight of 409.37 g/mol. Its IUPAC name is [2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90081480
Molecular FormulaC18H13F2NO6S
Molecular Weight409.37 g/mol
Exact Mass409.04
IUPAC Name[2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NS(=O)(=O)c2ccccc2)oc(-c2ccc(F)c(F)c2)c1O
InChIInChI=1S/C18H13F2NO6S/c1-10(22)26-17-15(23)16(11-7-8-13(19)14(20)9-11)27-18(17)21-28(24,25)12-5-3-2-4-6-12/h2-9,21,23H,1H3
InChIKeyGCVSZRFEEPOUCK-UHFFFAOYSA-N
XLogP3.66
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate (CID 90081480) is [2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Oc1c(NS(=O)(=O)c2ccccc2)oc(-c2ccc(F)c(F)c2)c1O.
What is the InChIKey of [2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is GCVSZRFEEPOUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO6S/c1-10(22)26-17-15(23)16(11-7-8-13(19)14(20)9-11)27-18(17)21-28(24,25)12-5-3-2-4-6-12/h2-9,21,23H,1H3.
What are the key properties of [2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
[2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 409.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90081480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).