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

C17H14ClNO5S — CID 140681887

IUPACN-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide
SMILESCC1=C(O)C(=O)C(NS(=O)(=O)c2ccccc2)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H14ClNO5S/c1-11-15(20)16(21)17(24-11,12-7-9-13(18)10-8-12)19-25(22,23)14-5-3-2-4-6-14/h2-10,19-20H,1H3
InChIKeyYZVQZMDYPLSAOY-UHFFFAOYSA-N
MW379.82 g/mol
LogP2.86
Rot. Bonds4

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

N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide (PubChem CID 140681887) has the molecular formula C17H14ClNO5S and a molecular weight of 379.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide
PubChem CID140681887
Molecular FormulaC17H14ClNO5S
Molecular Weight379.82 g/mol
Exact Mass379.03
IUPAC NameN-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide
SMILESCC1=C(O)C(=O)C(NS(=O)(=O)c2ccccc2)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H14ClNO5S/c1-11-15(20)16(21)17(24-11,12-7-9-13(18)10-8-12)19-25(22,23)14-5-3-2-4-6-14/h2-10,19-20H,1H3
InChIKeyYZVQZMDYPLSAOY-UHFFFAOYSA-N
XLogP2.86
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
CID 140833721
N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
CID 140833851
N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
CID 118262097
[2-(Benzenesulfonamido)-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 118262106
N-[5-(2,4-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
CID 132139401
[5-(4-Chlorophenyl)-5-(ethylsulfonylamino)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681884
[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]ethanesulfonamide
CID 140681894
[5-(Benzenesulfonamido)-5-(4-chlorophenyl)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681896
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]methanesulfonamide
CID 140681901
N-[5-(3-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
CID 140833867
N-[5-(2-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzenesulfonamide
CID 140834434

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide (CID 140681887) is N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide is CC1=C(O)C(=O)C(NS(=O)(=O)c2ccccc2)(c2ccc(Cl)cc2)O1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide?
The InChIKey is YZVQZMDYPLSAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO5S/c1-11-15(20)16(21)17(24-11,12-7-9-13(18)10-8-12)19-25(22,23)14-5-3-2-4-6-14/h2-10,19-20H,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide?
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzenesulfonamide has a molecular weight of 379.82 g/mol, XLogP of 2.86, 4 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]benzenesulfonamide is sourced from PubChem (CID 140681887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).