N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide

C12H11F2NO5S — CID 90080637

IUPACN-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1oc(-c2cc(F)cc(F)c2)c(O)c1O
InChIInChI=1S/C12H11F2NO5S/c1-2-21(18,19)15-12-10(17)9(16)11(20-12)6-3-7(13)5-8(14)4-6/h3-5,15-17H,2H2,1H3
InChIKeyQJQBABSDYBJGDR-UHFFFAOYSA-N
MW319.29 g/mol
LogP2.40
Rot. Bonds4

About N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide

N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide (PubChem CID 90080637) has the molecular formula C12H11F2NO5S and a molecular weight of 319.29 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide
PubChem CID90080637
Molecular FormulaC12H11F2NO5S
Molecular Weight319.29 g/mol
Exact Mass319.03
IUPAC NameN-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1oc(-c2cc(F)cc(F)c2)c(O)c1O
InChIInChI=1S/C12H11F2NO5S/c1-2-21(18,19)15-12-10(17)9(16)11(20-12)6-3-7(13)5-8(14)4-6/h3-5,15-17H,2H2,1H3
InChIKeyQJQBABSDYBJGDR-UHFFFAOYSA-N
XLogP2.40
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide (CID 90080637) is N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide is CCS(=O)(=O)Nc1oc(-c2cc(F)cc(F)c2)c(O)c1O.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide?
The InChIKey is QJQBABSDYBJGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO5S/c1-2-21(18,19)15-12-10(17)9(16)11(20-12)6-3-7(13)5-8(14)4-6/h3-5,15-17H,2H2,1H3.
What are the key properties of N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide?
N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide has a molecular weight of 319.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]ethanesulfonamide is sourced from PubChem (CID 90080637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).