4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid

C11H7N3O4S2Se — CID 61062569

IUPAC4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc3n[se]nc23)cs1
InChIInChI=1S/C11H7N3O4S2Se/c15-11(16)9-4-6(5-19-9)20(17,18)12-7-2-1-3-8-10(7)14-21-13-8/h1-5,12H,(H,15,16)
InChIKeyQENQJTSJVTZGTJ-UHFFFAOYSA-N
MW388.29 g/mol
LogP1.25
Rot. Bonds4

About 4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid

4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61062569) has the molecular formula C11H7N3O4S2Se and a molecular weight of 388.29 g/mol. Its IUPAC name is 4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61062569
Molecular FormulaC11H7N3O4S2Se
Molecular Weight388.29 g/mol
Exact Mass388.90
IUPAC Name4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccc3n[se]nc23)cs1
InChIInChI=1S/C11H7N3O4S2Se/c15-11(16)9-4-6(5-19-9)20(17,18)12-7-2-1-3-8-10(7)14-21-13-8/h1-5,12H,(H,15,16)
InChIKeyQENQJTSJVTZGTJ-UHFFFAOYSA-N
XLogP1.25
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61027657
N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide
CID 61051628
4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061675
4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61062715
4-[(6-fluoro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 116812709
4-[(2-ethylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061735
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 154780485
4-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55247817
4-(1,2-oxazol-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63618335
2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid
CID 27261800
N-(2,1,3-benzoselenadiazol-4-yl)-1-chloromethanesulfonamide
CID 63665160

Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid (CID 61062569) is 4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2cccc3n[se]nc23)cs1.
What is the InChIKey of 4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is QENQJTSJVTZGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O4S2Se/c15-11(16)9-4-6(5-19-9)20(17,18)12-7-2-1-3-8-10(7)14-21-13-8/h1-5,12H,(H,15,16).
What are the key properties of 4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid?
4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 388.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61062569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).