5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid

C11H7N3O4S2Se — CID 61027657

IUPAC5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc3n[se]nc23)s1
InChIInChI=1S/C11H7N3O4S2Se/c15-11(16)8-4-5-9(19-8)20(17,18)12-6-2-1-3-7-10(6)14-21-13-7/h1-5,12H,(H,15,16)
InChIKeyTWXGHSGYCKSYJH-UHFFFAOYSA-N
MW388.29 g/mol
LogP1.25
Rot. Bonds4

About 5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid

5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61027657) has the molecular formula C11H7N3O4S2Se and a molecular weight of 388.29 g/mol. Its IUPAC name is 5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61027657
Molecular FormulaC11H7N3O4S2Se
Molecular Weight388.29 g/mol
Exact Mass388.90
IUPAC Name5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cccc3n[se]nc23)s1
InChIInChI=1S/C11H7N3O4S2Se/c15-11(16)8-4-5-9(19-8)20(17,18)12-6-2-1-3-7-10(6)14-21-13-7/h1-5,12H,(H,15,16)
InChIKeyTWXGHSGYCKSYJH-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

4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61062569
5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027238
N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide
CID 61051628
N-(2,1,3-benzoselenadiazol-4-yl)-1-chloromethanesulfonamide
CID 63665160
5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026611
5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907564
5-[(5-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026497
5-[(2-chloro-6-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66257029
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026864
5-(1,2-oxazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 62904176
N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide
CID 62637659
5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 61283860

Frequently Asked Questions

What is the IUPAC name of 5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid (CID 61027657) is 5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2cccc3n[se]nc23)s1.
What is the InChIKey of 5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is TWXGHSGYCKSYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O4S2Se/c15-11(16)8-4-5-9(19-8)20(17,18)12-6-2-1-3-7-10(6)14-21-13-7/h1-5,12H,(H,15,16).
What are the key properties of 5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid?
5-(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 5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61027657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).