Basic information
- CAS
5118-88-7- Standard SMILES
NS(=O)(=O)c1cc2c(cc1Cl)NC(CCC(=O)O)=NS2(=O)=O- InChIKey
ZWUAVQXIWHVWDR-UHFFFAOYSA-N- Molecular formula
- C10H10ClN3O6S2
- Average molar mass
- 367.8 g/mol
- Monoisotopic mass
- 366.9699551
Names & identifiers
- Preferred name
- 3-(6-chloro-1,1-dioxo-7-sulfamoyl-4H-1lambda6,2,4-benzothiadiazin-3-yl)propanoic acid
- IUPAC
- 3-(6-chloro-1,1-dioxo-7-sulfamoyl-4H-1λ6,2,4-benzothiadiazin-3-yl)propanoic acid
Names & synonyms
NSC279835NSC-2798355118-88-7NCI60_002275SCHEMBL3863724CHEMBL2003658SCHEMBL11151137DTXSID909654573-(6-chloro-1,1-dioxo-7-sulfamoyl-2H-1$l^{6},2,4-benzothiadiazin-3-yl)propanoic acid3-[7-(Aminosulfonyl)-6-chloro-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl]propanoic acid3-(6-Chloro-1,1-dioxo-7-sulfamoyl-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)propanoic acid
Database identifiers
- CAS
5118-88-7- PubChem CID
- 5458565
- DTXSID
DTXSID90965457- ChEMBL
CHEMBL2003658
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 693
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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