1,2-Benzisothiazole, 3-(1-naphthalenyloxy)-, 1,1-dioxide
Basic information
- CAS
132636-61-4- Standard SMILES
O=S1(=O)N=C(Oc2cccc3ccccc23)c2ccccc21- InChIKey
PVYYHPVCCGWYIM-UHFFFAOYSA-N- Molecular formula
- C17H11NO3S
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.04596439
Names & identifiers
- Preferred name
- 1,2-Benzisothiazole, 3-(1-naphthalenyloxy)-, 1,1-dioxide
- IUPAC
- 3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide
Names & synonyms
132636-61-41,2-Benzisothiazole, 3-(1-naphthalenyloxy)-, 1,1-dioxideDTXSID20355049RefChem:215578DTXCID903061093-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxideCDS1_003853CBMicro_017357Oprea1_086572Oprea1_759355MLS000035480DivK1c_004893
Show more names
3-(Naphthalen-1-yloxy)-benzo[d]isothiazole 1,1-dioxideCHEMBL1370047HMS2418E18CCG-6165STL286895AKOS000639158NCGC00188406-01SMR000123041
Database identifiers
- CAS
132636-61-4- PubChem CID
- 790225
- DTXSID
DTXSID20355049- ChEMBL
CHEMBL1370047
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 551
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Related reactions
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Compound notes
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