3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid

C17H15N3O6S — CID 110610672

IUPAC3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid
SMILESCOc1ccc(-c2noc(CNS(=O)(=O)c3cccc(C(=O)O)c3)n2)cc1
InChIInChI=1S/C17H15N3O6S/c1-25-13-7-5-11(6-8-13)16-19-15(26-20-16)10-18-27(23,24)14-4-2-3-12(9-14)17(21)22/h2-9,18H,10H2,1H3,(H,21,22)
InChIKeyYBVMCBCIKAUKTQ-UHFFFAOYSA-N
MW389.39 g/mol
LogP1.92
Rot. Bonds7

About 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid

3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid (PubChem CID 110610672) has the molecular formula C17H15N3O6S and a molecular weight of 389.39 g/mol. Its IUPAC name is 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid
PubChem CID110610672
Molecular FormulaC17H15N3O6S
Molecular Weight389.39 g/mol
Exact Mass389.07
IUPAC Name3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid
SMILESCOc1ccc(-c2noc(CNS(=O)(=O)c3cccc(C(=O)O)c3)n2)cc1
InChIInChI=1S/C17H15N3O6S/c1-25-13-7-5-11(6-8-13)16-19-15(26-20-16)10-18-27(23,24)14-4-2-3-12(9-14)17(21)22/h2-9,18H,10H2,1H3,(H,21,22)
InChIKeyYBVMCBCIKAUKTQ-UHFFFAOYSA-N
XLogP1.92
TPSA131.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoate
CID 94008888
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbenzenesulfonamide
CID 110323036
3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322586
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 99184418
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154665
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4870862
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide
CID 100623554
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 110323025
1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 100758290
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(thiophen-2-ylmethylsulfamoyl)benzoate
CID 55476538
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 110293562

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid?
The IUPAC name of 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid (CID 110610672) is 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid.
What is the SMILES notation for 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid?
The canonical SMILES for 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid is COc1ccc(-c2noc(CNS(=O)(=O)c3cccc(C(=O)O)c3)n2)cc1.
What is the InChIKey of 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid?
The InChIKey is YBVMCBCIKAUKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6S/c1-25-13-7-5-11(6-8-13)16-19-15(26-20-16)10-18-27(23,24)14-4-2-3-12(9-14)17(21)22/h2-9,18H,10H2,1H3,(H,21,22).
What are the key properties of 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid?
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid has a molecular weight of 389.39 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]benzoic acid is sourced from PubChem (CID 110610672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).