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

C9H8BrN3O6S — CID 106394932

IUPAC5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)c2cc(C(=O)O)oc2Br)no1
InChIInChI=1S/C9H8BrN3O6S/c1-4-12-7(13-19-4)3-11-20(16,17)6-2-5(9(14)15)18-8(6)10/h2,11H,3H2,1H3,(H,14,15)
InChIKeyPXIMSVZNWLBICV-UHFFFAOYSA-N
MW366.15 g/mol
LogP0.91
Rot. Bonds5

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

5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 106394932) has the molecular formula C9H8BrN3O6S and a molecular weight of 366.15 g/mol. Its IUPAC name is 5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID106394932
Molecular FormulaC9H8BrN3O6S
Molecular Weight366.15 g/mol
Exact Mass364.93
IUPAC Name5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1nc(CNS(=O)(=O)c2cc(C(=O)O)oc2Br)no1
InChIInChI=1S/C9H8BrN3O6S/c1-4-12-7(13-19-4)3-11-20(16,17)6-2-5(9(14)15)18-8(6)10/h2,11H,3H2,1H3,(H,14,15)
InChIKeyPXIMSVZNWLBICV-UHFFFAOYSA-N
XLogP0.91
TPSA135.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.15
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 114183282
4-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394852
5-bromo-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62804321
2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106410367
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394862
5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
CID 62803988
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
5-bromo-4-[(3-bromophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62830234
5-bromo-4-[3-(methanesulfonamido)propylsulfamoyl]furan-2-carboxylic acid
CID 106334960
5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 63247995
4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106402266
3-amino-4-bromo-5-chloro-2-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391937

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid (CID 106394932) is 5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid is Cc1nc(CNS(=O)(=O)c2cc(C(=O)O)oc2Br)no1.
What is the InChIKey of 5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is PXIMSVZNWLBICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O6S/c1-4-12-7(13-19-4)3-11-20(16,17)6-2-5(9(14)15)18-8(6)10/h2,11H,3H2,1H3,(H,14,15).
What are the key properties of 5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 366.15 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 106394932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).