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

C13H13ClFNO5S — CID 140833935

IUPACN-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1=C(O)C(=O)C(C)(c2cc(F)ccc2Cl)O1
InChIInChI=1S/C13H13ClFNO5S/c1-3-22(19,20)16-12-10(17)11(18)13(2,21-12)8-6-7(15)4-5-9(8)14/h4-6,16-17H,3H2,1-2H3
InChIKeyNTVZHKYZMIFWBR-UHFFFAOYSA-N
MW349.77 g/mol
LogP1.96
Rot. Bonds4

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

N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide (PubChem CID 140833935) has the molecular formula C13H13ClFNO5S and a molecular weight of 349.77 g/mol. Its IUPAC name is N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
PubChem CID140833935
Molecular FormulaC13H13ClFNO5S
Molecular Weight349.77 g/mol
Exact Mass349.02
IUPAC NameN-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1=C(O)C(=O)C(C)(c2cc(F)ccc2Cl)O1
InChIInChI=1S/C13H13ClFNO5S/c1-3-22(19,20)16-12-10(17)11(18)13(2,21-12)8-6-7(15)4-5-9(8)14/h4-6,16-17H,3H2,1-2H3
InChIKeyNTVZHKYZMIFWBR-UHFFFAOYSA-N
XLogP1.96
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
CID 140833665
4-bromo-N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]butanamide
CID 140834261
[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833701
3-bromo-N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]propane-1-sulfonamide
CID 140834381
N-(2-chloro-5-fluorophenyl)ethanesulfonamide
CID 107531524
N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide
CID 174753250
1-[5-(2-chloro-4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidine-2,5-dione
CID 140834369
N-[5-(2,6-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
CID 140834203
[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamic acid
CID 151984574
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
N-[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834390
[2-(3-bromopropylsulfonylamino)-5-(3-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834097

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide?
The IUPAC name of N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide (CID 140833935) is N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide?
The canonical SMILES for N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide is CCS(=O)(=O)NC1=C(O)C(=O)C(C)(c2cc(F)ccc2Cl)O1.
What is the InChIKey of N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide?
The InChIKey is NTVZHKYZMIFWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO5S/c1-3-22(19,20)16-12-10(17)11(18)13(2,21-12)8-6-7(15)4-5-9(8)14/h4-6,16-17H,3H2,1-2H3.
What are the key properties of N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide?
N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide has a molecular weight of 349.77 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide is sourced from PubChem (CID 140833935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).