Basic information
- CAS
5843-07-2- Standard SMILES
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(Cl)c1- InChIKey
BAVLHSJUYCHFEP-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O4S
- Average molar mass
- 364.8 g/mol
- Monoisotopic mass
- 364.0284558
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanamide
- IUPAC
- N-(3-chlorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Names & synonyms
663168-38-5N-(3-chlorophenyl)-3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)propanamide5843-07-2N-(3-chlorophenyl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamideAP-853/41872961N-(3-Chlorophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamideN-(3-chlorophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamideDTXSID00413838STK133935AKOS000457582N-(3-chlorophenyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamideVU0495802-1
Show more names
SR-01000113392SR-01000113392-1F2749-0144N-(3-chlorophenyl)-3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)propanamide
Database identifiers
- CAS
5843-07-2- PubChem CID
- 5258786
- DTXSID
DTXSID00413838
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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