N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide

C13H14FNO5S — CID 90081520

IUPACN-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1oc(-c2cccc(F)c2)c(O)c1O
InChIInChI=1S/C13H14FNO5S/c1-3-21(18,19)15(2)13-11(17)10(16)12(20-13)8-5-4-6-9(14)7-8/h4-7,16-17H,3H2,1-2H3
InChIKeyHGRGZUVYJCCNQV-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.28
Rot. Bonds4

About N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide

N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide (PubChem CID 90081520) has the molecular formula C13H14FNO5S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide
PubChem CID90081520
Molecular FormulaC13H14FNO5S
Molecular Weight315.32 g/mol
Exact Mass315.06
IUPAC NameN-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1oc(-c2cccc(F)c2)c(O)c1O
InChIInChI=1S/C13H14FNO5S/c1-3-21(18,19)15(2)13-11(17)10(16)12(20-13)8-5-4-6-9(14)7-8/h4-7,16-17H,3H2,1-2H3
InChIKeyHGRGZUVYJCCNQV-UHFFFAOYSA-N
XLogP2.28
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide?
The IUPAC name of N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide (CID 90081520) is N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)c1oc(-c2cccc(F)c2)c(O)c1O.
What is the InChIKey of N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide?
The InChIKey is HGRGZUVYJCCNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO5S/c1-3-21(18,19)15(2)13-11(17)10(16)12(20-13)8-5-4-6-9(14)7-8/h4-7,16-17H,3H2,1-2H3.
What are the key properties of N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide?
N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 90081520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).