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

C12H12ClNO5S — CID 118262095

IUPACN-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
SMILESCC1(c2ccc(Cl)cc2)OC(NS(C)(=O)=O)=C(O)C1=O
InChIInChI=1S/C12H12ClNO5S/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
InChIKeyQAYYENITURCBRX-UHFFFAOYSA-N
MW317.75 g/mol
LogP1.43
Rot. Bonds3

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

N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide (PubChem CID 118262095) has the molecular formula C12H12ClNO5S and a molecular weight of 317.75 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
PubChem CID118262095
Molecular FormulaC12H12ClNO5S
Molecular Weight317.75 g/mol
Exact Mass317.01
IUPAC NameN-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
SMILESCC1(c2ccc(Cl)cc2)OC(NS(C)(=O)=O)=C(O)C1=O
InChIInChI=1S/C12H12ClNO5S/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
InChIKeyQAYYENITURCBRX-UHFFFAOYSA-N
XLogP1.43
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide (CID 118262095) is N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide is CC1(c2ccc(Cl)cc2)OC(NS(C)(=O)=O)=C(O)C1=O.
What is the InChIKey of N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide?
The InChIKey is QAYYENITURCBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO5S/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-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide?
N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide has a molecular weight of 317.75 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide is sourced from PubChem (CID 118262095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).