2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide

C22H18FN3O4S — CID 50841866

IUPAC2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccccc1-c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C22H18FN3O4S/c1-14-10-11-19(29-2)18(12-14)26-31(27,28)20-9-4-3-8-17(20)22-24-21(25-30-22)15-6-5-7-16(23)13-15/h3-13,26H,1-2H3
InChIKeyPJAXKAFBMVOLHI-UHFFFAOYSA-N
MW439.47 g/mol
LogP4.66
Rot. Bonds6

About 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide

2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide (PubChem CID 50841866) has the molecular formula C22H18FN3O4S and a molecular weight of 439.47 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
PubChem CID50841866
Molecular FormulaC22H18FN3O4S
Molecular Weight439.47 g/mol
Exact Mass439.10
IUPAC Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccccc1-c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C22H18FN3O4S/c1-14-10-11-19(29-2)18(12-14)26-31(27,28)20-9-4-3-8-17(20)22-24-21(25-30-22)15-6-5-7-16(23)13-15/h3-13,26H,1-2H3
InChIKeyPJAXKAFBMVOLHI-UHFFFAOYSA-N
XLogP4.66
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50841890
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 35521904
N-(2,5-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50839280
N-(2-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821260
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
N-(2-methoxy-5-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50764352
N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 35521934
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-2-methylthiophene-3-sulfonamide
CID 50821175
N-(3,4-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50842970
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
N-(2,5-dimethoxyphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821998

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide (CID 50841866) is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1ccccc1-c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide?
The InChIKey is PJAXKAFBMVOLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4S/c1-14-10-11-19(29-2)18(12-14)26-31(27,28)20-9-4-3-8-17(20)22-24-21(25-30-22)15-6-5-7-16(23)13-15/h3-13,26H,1-2H3.
What are the key properties of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide?
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide has a molecular weight of 439.47 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 50841866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).