5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid

C9H8BrN3O5S2 — CID 106395240

IUPAC5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCc2ncon2)c(Br)s1
InChIInChI=1S/C9H8BrN3O5S2/c10-8-6(3-5(19-8)9(14)15)20(16,17)12-2-1-7-11-4-18-13-7/h3-4,12H,1-2H2,(H,14,15)
InChIKeyXAJJYFBWYNIDDQ-UHFFFAOYSA-N
MW382.22 g/mol
LogP1.11
Rot. Bonds6

About 5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106395240) has the molecular formula C9H8BrN3O5S2 and a molecular weight of 382.22 g/mol. Its IUPAC name is 5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID106395240
Molecular FormulaC9H8BrN3O5S2
Molecular Weight382.22 g/mol
Exact Mass380.91
IUPAC Name5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCc2ncon2)c(Br)s1
InChIInChI=1S/C9H8BrN3O5S2/c10-8-6(3-5(19-8)9(14)15)20(16,17)12-2-1-7-11-4-18-13-7/h3-4,12H,1-2H2,(H,14,15)
InChIKeyXAJJYFBWYNIDDQ-UHFFFAOYSA-N
XLogP1.11
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106414877
4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 61403030
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 114183306
5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 103004774
2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide
CID 106410644
5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410879
5-bromo-4-(4-methylsulfanylbutylsulfamoyl)thiophene-2-carboxylic acid
CID 113437789
3-amino-5-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392493
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106410661

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 106395240) is 5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCCc2ncon2)c(Br)s1.
What is the InChIKey of 5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is XAJJYFBWYNIDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O5S2/c10-8-6(3-5(19-8)9(14)15)20(16,17)12-2-1-7-11-4-18-13-7/h3-4,12H,1-2H2,(H,14,15).
What are the key properties of 5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 382.22 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106395240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).