N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide

C14H15F2NO5S — CID 174753250

IUPACN-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1=C(O)C(=O)C(C)(c2ccc(F)cc2F)O1
InChIInChI=1S/C14H15F2NO5S/c1-4-23(20,21)17(3)13-11(18)12(19)14(2,22-13)9-6-5-8(15)7-10(9)16/h5-7,18H,4H2,1-3H3
InChIKeyBGMINDLYTQBHRO-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.79
Rot. Bonds4

About N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide

N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide (PubChem CID 174753250) has the molecular formula C14H15F2NO5S and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide
PubChem CID174753250
Molecular FormulaC14H15F2NO5S
Molecular Weight347.34 g/mol
Exact Mass347.06
IUPAC NameN-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1=C(O)C(=O)C(C)(c2ccc(F)cc2F)O1
InChIInChI=1S/C14H15F2NO5S/c1-4-23(20,21)17(3)13-11(18)12(19)14(2,22-13)9-6-5-8(15)7-10(9)16/h5-7,18H,4H2,1-3H3
InChIKeyBGMINDLYTQBHRO-UHFFFAOYSA-N
XLogP1.79
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide
CID 175463080
N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide
CID 174753591
N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide
CID 174753543
[2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 175463079
N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
CID 140833935
[5-(2,3-dichlorophenyl)-2-[ethylsulfonyl(methyl)amino]-5-methyl-4-oxofuran-3-yl] acetate
CID 174753573
N-[5-(3-fluorophenyl)-3,4-dihydroxyfuran-2-yl]-N-methylethanesulfonamide
CID 90081520
[5-(2,4-difluorophenyl)-2-[ethylsulfonyl(methyl)amino]-4-hydroxyfuran-3-yl] acetate
CID 90081886
1-[5-(2-chloro-4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140834369
4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione
CID 63156404
[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833701
(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
CID 123185465

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide?
The IUPAC name of N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide (CID 174753250) is N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide?
The canonical SMILES for N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1=C(O)C(=O)C(C)(c2ccc(F)cc2F)O1.
What is the InChIKey of N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide?
The InChIKey is BGMINDLYTQBHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO5S/c1-4-23(20,21)17(3)13-11(18)12(19)14(2,22-13)9-6-5-8(15)7-10(9)16/h5-7,18H,4H2,1-3H3.
What are the key properties of N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide?
N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide has a molecular weight of 347.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 174753250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).