Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCNC(=O)N1C(=O)c2ccccc2S1(=O)=O- InChIKey
JKYVAVZSIHHIRT-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4S
- Average molar mass
- 268.29 g/mol
- Monoisotopic mass
- 268.05177804
Names & identifiers
- Preferred name
- 1,1,3-trioxo-N-propyl-1,2-benzothiazole-2-carboxamide
- IUPAC
- 1,1,3-trioxo-N-propyl-1,2-benzothiazole-2-carboxamide
Names & synonyms
NSC626732CHEMBL3344451,1,3-trioxo-N-propyl-1,2-benzothiazole-2-carboxamide1,2-Benzisothiazole-2(3H)-carboxamide, 3-oxo-N-propyl-, 1,1-dioxideBDBM50600967NSC-626732
Database identifiers
- PubChem CID
- 362602
- ChEMBL
CHEMBL334445
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…