Basic information
- CAS
1118788-15-0- Standard SMILES
O=C(CCCCCN=C1NS(=O)(=O)c2ccccc21)NCCCc1ccccc1- InChIKey
KFNCGLMRYUXDSN-UHFFFAOYSA-N- Molecular formula
- C22H27N3O3S
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.17731291
Names & identifiers
- Preferred name
- 6-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-N-(3-phenylpropyl)hexanamide
- IUPAC
- 6-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-(3-phenylpropyl)hexanamide
Names & synonyms
DTXSID701143012AKOS008021903Z517306516-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-N-(3-phenylpropyl)hexanamide6-[(1,1-Dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-N-(3-phenylpropyl)hexanamide1118788-15-0
Database identifiers
- CAS
1118788-15-0- PubChem CID
- 135890555
- DTXSID
DTXSID701143012
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 651
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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