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

C12H11ClFNO5S — CID 140834143

IUPACN-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
SMILESCC1(c2ccc(Cl)c(F)c2)OC(NS(C)(=O)=O)=C(O)C1=O
InChIInChI=1S/C12H11ClFNO5S/c1-12(6-3-4-7(13)8(14)5-6)10(17)9(16)11(20-12)15-21(2,18)19/h3-5,15-16H,1-2H3
InChIKeyKBBMZZGSPQNVPM-UHFFFAOYSA-N
MW335.74 g/mol
LogP1.57
Rot. Bonds3

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

N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide (PubChem CID 140834143) has the molecular formula C12H11ClFNO5S and a molecular weight of 335.74 g/mol. Its IUPAC name is N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
PubChem CID140834143
Molecular FormulaC12H11ClFNO5S
Molecular Weight335.74 g/mol
Exact Mass335.00
IUPAC NameN-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
SMILESCC1(c2ccc(Cl)c(F)c2)OC(NS(C)(=O)=O)=C(O)C1=O
InChIInChI=1S/C12H11ClFNO5S/c1-12(6-3-4-7(13)8(14)5-6)10(17)9(16)11(20-12)15-21(2,18)19/h3-5,15-16H,1-2H3
InChIKeyKBBMZZGSPQNVPM-UHFFFAOYSA-N
XLogP1.57
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide (CID 140834143) is N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide is CC1(c2ccc(Cl)c(F)c2)OC(NS(C)(=O)=O)=C(O)C1=O.
What is the InChIKey of N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide?
The InChIKey is KBBMZZGSPQNVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO5S/c1-12(6-3-4-7(13)8(14)5-6)10(17)9(16)11(20-12)15-21(2,18)19/h3-5,15-16H,1-2H3.
What are the key properties of N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide?
N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide has a molecular weight of 335.74 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide is sourced from PubChem (CID 140834143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).