N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide

C12H14N2O5S — CID 140834220

IUPACN-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1=C(O)C(=O)C(C)(c2cccnc2)O1
InChIInChI=1S/C12H14N2O5S/c1-3-20(17,18)14-11-9(15)10(16)12(2,19-11)8-5-4-6-13-7-8/h4-7,14-15H,3H2,1-2H3
InChIKeySTZLBRGGBRJULL-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.56
Rot. Bonds4

About N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide

N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide (PubChem CID 140834220) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide
PubChem CID140834220
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC NameN-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1=C(O)C(=O)C(C)(c2cccnc2)O1
InChIInChI=1S/C12H14N2O5S/c1-3-20(17,18)14-11-9(15)10(16)12(2,19-11)8-5-4-6-13-7-8/h4-7,14-15H,3H2,1-2H3
InChIKeySTZLBRGGBRJULL-UHFFFAOYSA-N
XLogP0.56
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)acetamide
CID 140834179
N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)benzamide
CID 140833703
4-bromo-N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)butanamide
CID 140834090
5-amino-4-hydroxy-2-methyl-2-pyridin-3-ylfuran-3-one
CID 90081861
(4R,5R)-3-ethyl-4-hydroxy-4,5-dimethyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 7327793
N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide
CID 174753543
N-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
CID 140833834
2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride
CID 64665752
(2-methyl-2-pyridin-3-ylcyclopropyl)methanol
CID 81358842
ethyl (2S,3S)-3-methyl-3-pyridin-3-yloxirane-2-carboxylate
CID 124515511
N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
CID 140834203
4-ethyl-4-pyridin-3-yl-1,3-oxazolidin-2-one
CID 67719324

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide?
The IUPAC name of N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide (CID 140834220) is N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide?
The canonical SMILES for N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide is CCS(=O)(=O)NC1=C(O)C(=O)C(C)(c2cccnc2)O1.
What is the InChIKey of N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide?
The InChIKey is STZLBRGGBRJULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-3-20(17,18)14-11-9(15)10(16)12(2,19-11)8-5-4-6-13-7-8/h4-7,14-15H,3H2,1-2H3.
What are the key properties of N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide?
N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide has a molecular weight of 298.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)ethanesulfonamide is sourced from PubChem (CID 140834220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).