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

C11H11N3O5S — CID 106394862

IUPAC4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
SMILESCc1nc(CNS(=O)(=O)c2ccc(C(=O)O)cc2)no1
InChIInChI=1S/C11H11N3O5S/c1-7-13-10(14-19-7)6-12-20(17,18)9-4-2-8(3-5-9)11(15)16/h2-5,12H,6H2,1H3,(H,15,16)
InChIKeySKDQQIRGSRHJGU-UHFFFAOYSA-N
MW297.29 g/mol
LogP0.55
Rot. Bonds5

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

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid (PubChem CID 106394862) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
PubChem CID106394862
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
SMILESCc1nc(CNS(=O)(=O)c2ccc(C(=O)O)cc2)no1
InChIInChI=1S/C11H11N3O5S/c1-7-13-10(14-19-7)6-12-20(17,18)9-4-2-8(3-5-9)11(15)16/h2-5,12H,6H2,1H3,(H,15,16)
InChIKeySKDQQIRGSRHJGU-UHFFFAOYSA-N
XLogP0.55
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394852
4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106402266
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 114183282
1-acetyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 46972328
3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106410408
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 103697752
5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 106394932
3-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 106399412
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309
3-(aminomethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106410794
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 106402227
2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-sulfonamide
CID 114184093

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid?
The IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid (CID 106394862) is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid is Cc1nc(CNS(=O)(=O)c2ccc(C(=O)O)cc2)no1.
What is the InChIKey of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid?
The InChIKey is SKDQQIRGSRHJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c1-7-13-10(14-19-7)6-12-20(17,18)9-4-2-8(3-5-9)11(15)16/h2-5,12H,6H2,1H3,(H,15,16).
What are the key properties of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid?
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid has a molecular weight of 297.29 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 106394862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).