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

C10H10BrN3O5S2 — CID 106414877

IUPAC5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1nc(CCNS(=O)(=O)c2cc(C(=O)O)sc2Br)no1
InChIInChI=1S/C10H10BrN3O5S2/c1-5-13-8(14-19-5)2-3-12-21(17,18)7-4-6(10(15)16)20-9(7)11/h4,12H,2-3H2,1H3,(H,15,16)
InChIKeyGVZWRUZPLODRQQ-UHFFFAOYSA-N
MW396.24 g/mol
LogP1.42
Rot. Bonds6

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

5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106414877) has the molecular formula C10H10BrN3O5S2 and a molecular weight of 396.24 g/mol. Its IUPAC name is 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID106414877
Molecular FormulaC10H10BrN3O5S2
Molecular Weight396.24 g/mol
Exact Mass394.92
IUPAC Name5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1nc(CCNS(=O)(=O)c2cc(C(=O)O)sc2Br)no1
InChIInChI=1S/C10H10BrN3O5S2/c1-5-13-8(14-19-5)2-3-12-21(17,18)7-4-6(10(15)16)20-9(7)11/h4,12H,2-3H2,1H3,(H,15,16)
InChIKeyGVZWRUZPLODRQQ-UHFFFAOYSA-N
XLogP1.42
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106395240
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106410367
5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 103004774
4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 61403030
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 106414900
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
5-amino-2-fluoro-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413667
5-amino-4-bromo-2-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413590
5-bromo-4-(4-methylsulfanylbutylsulfamoyl)thiophene-2-carboxylic acid
CID 113437789
5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113437801

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 106414877) is 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is Cc1nc(CCNS(=O)(=O)c2cc(C(=O)O)sc2Br)no1.
What is the InChIKey of 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is GVZWRUZPLODRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O5S2/c1-5-13-8(14-19-5)2-3-12-21(17,18)7-4-6(10(15)16)20-9(7)11/h4,12H,2-3H2,1H3,(H,15,16).
What are the key properties of 5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 396.24 g/mol, XLogP of 1.42, 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-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106414877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).