N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide

C12H12FNO5S — CID 140834124

IUPACN-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
SMILESCC1(c2ccc(F)cc2)OC(NS(C)(=O)=O)=C(O)C1=O
InChIInChI=1S/C12H12FNO5S/c1-12(7-3-5-8(13)6-4-7)10(16)9(15)11(19-12)14-20(2,17)18/h3-6,14-15H,1-2H3
InChIKeyJUBDSFZTWOOEHW-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.92
Rot. Bonds3

About N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide

N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide (PubChem CID 140834124) has the molecular formula C12H12FNO5S and a molecular weight of 301.30 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
PubChem CID140834124
Molecular FormulaC12H12FNO5S
Molecular Weight301.30 g/mol
Exact Mass301.04
IUPAC NameN-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
SMILESCC1(c2ccc(F)cc2)OC(NS(C)(=O)=O)=C(O)C1=O
InChIInChI=1S/C12H12FNO5S/c1-12(7-3-5-8(13)6-4-7)10(16)9(15)11(19-12)14-20(2,17)18/h3-6,14-15H,1-2H3
InChIKeyJUBDSFZTWOOEHW-UHFFFAOYSA-N
XLogP0.92
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid
CID 151984574
N-[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834390
N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
CID 140833665
5-amino-2-(3,4-difluorophenyl)-4-hydroxy-2-methylfuran-3-one
CID 90082264
3-bromo-N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]propane-1-sulfonamide
CID 140834381
5-amino-2-(4-fluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
CID 140833680
[2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 175463079
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833963
[5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833655
[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833701
(5R)-5-(4-fluorophenyl)-5-methyl-1,3-oxazolidin-2-one
CID 93182568
N-[3-acetyl-4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide
CID 59442979

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide (CID 140834124) is N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide is CC1(c2ccc(F)cc2)OC(NS(C)(=O)=O)=C(O)C1=O.
What is the InChIKey of N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide?
The InChIKey is JUBDSFZTWOOEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO5S/c1-12(7-3-5-8(13)6-4-7)10(16)9(15)11(19-12)14-20(2,17)18/h3-6,14-15H,1-2H3.
What are the key properties of N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide?
N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide has a molecular weight of 301.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide is sourced from PubChem (CID 140834124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).