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

C9H9N3O6S — CID 114183282

IUPAC5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)c2ccc(C(=O)O)o2)no1
InChIInChI=1S/C9H9N3O6S/c1-5-11-7(12-18-5)4-10-19(15,16)8-3-2-6(17-8)9(13)14/h2-3,10H,4H2,1H3,(H,13,14)
InChIKeyIFQQJFIOVWOWFA-UHFFFAOYSA-N
MW287.25 g/mol
LogP0.15
Rot. Bonds5

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

5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 114183282) has the molecular formula C9H9N3O6S and a molecular weight of 287.25 g/mol. Its IUPAC name is 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID114183282
Molecular FormulaC9H9N3O6S
Molecular Weight287.25 g/mol
Exact Mass287.02
IUPAC Name5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)c2ccc(C(=O)O)o2)no1
InChIInChI=1S/C9H9N3O6S/c1-5-11-7(12-18-5)4-10-19(15,16)8-3-2-6(17-8)9(13)14/h2-3,10H,4H2,1H3,(H,13,14)
InChIKeyIFQQJFIOVWOWFA-UHFFFAOYSA-N
XLogP0.15
TPSA135.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394862
5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 106394932
4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106402266
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
4-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394852
5-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 63280526
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309
1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410779
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 103740945
5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 43361993

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid (CID 114183282) is 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid is Cc1nc(CNS(=O)(=O)c2ccc(C(=O)O)o2)no1.
What is the InChIKey of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is IFQQJFIOVWOWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O6S/c1-5-11-7(12-18-5)4-10-19(15,16)8-3-2-6(17-8)9(13)14/h2-3,10H,4H2,1H3,(H,13,14).
What are the key properties of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid?
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 287.25 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 114183282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).