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

C12H12ClNO5S — CID 140681901

IUPACN-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide
SMILESCC1=C(O)C(=O)C(NS(C)(=O)=O)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C12H12ClNO5S/c1-7-10(15)11(16)12(19-7,14-20(2,17)18)8-3-5-9(13)6-4-8/h3-6,14-15H,1-2H3
InChIKeyMXLWBRXKKPRTPK-UHFFFAOYSA-N
MW317.75 g/mol
LogP1.43
Rot. Bonds3

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

N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide (PubChem CID 140681901) has the molecular formula C12H12ClNO5S and a molecular weight of 317.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide
PubChem CID140681901
Molecular FormulaC12H12ClNO5S
Molecular Weight317.75 g/mol
Exact Mass317.01
IUPAC NameN-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide
SMILESCC1=C(O)C(=O)C(NS(C)(=O)=O)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C12H12ClNO5S/c1-7-10(15)11(16)12(19-7,14-20(2,17)18)8-3-5-9(13)6-4-8/h3-6,14-15H,1-2H3
InChIKeyMXLWBRXKKPRTPK-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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Related Compounds

N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
CID 140834143
N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
CID 140834326
2-(4-chlorophenyl)-4-[[methylsulfonyl]oxy]-5-amino-3(2H)-furanone
CID 73506253
N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]methanesulfonamide
CID 118262095
N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]ethanesulfonamide
CID 118262096
[5-(4-Chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681884
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide
CID 140681887
[5-(4-Chlorophenyl)-5-(methanesulfonamido)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681889
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]acetamide
CID 140681891
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]ethanesulfonamide
CID 140681894
[5-(Benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681896
ethyl N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]carbamate
CID 140681898

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide (CID 140681901) is N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide is CC1=C(O)C(=O)C(NS(C)(=O)=O)(c2ccc(Cl)cc2)O1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide?
The InChIKey is MXLWBRXKKPRTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO5S/c1-7-10(15)11(16)12(19-7,14-20(2,17)18)8-3-5-9(13)6-4-8/h3-6,14-15H,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide?
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-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-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide is sourced from PubChem (CID 140681901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).