Basic information
- Standard SMILES
O=S1(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc21- InChIKey
VAJAMNXSLLWPSL-UHFFFAOYSA-N- Molecular formula
- C19H15NO2S
- Average molar mass
- 321.4 g/mol
Names & identifiers
- Preferred name
- 3,3-diphenyl-2H-1,2-benzothiazole 1,1-dioxide
- IUPAC
- 3,3-diphenyl-2H-1,2-benzothiazole 1,1-dioxide
Names & synonyms
3,3-diphenyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide3,3-diphenyl-2H-1,2-benzothiazole 1,1-dioxideCHEMBL4915537SCHEMBL11240630VAJAMNXSLLWPSL-UHFFFAOYSA-NAP-520/407888463,3-diphenyl-2,3-dihydrobenz[d]isothiazole-1,1-dioxide3,3-diphenyl-2,3-dihyrobenz[d]isothiazole-1,1-dioxide
Database identifiers
- PubChem CID
- 4619013
- ChEMBL
CHEMBL4915537
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 494
Related reactions
8 records
Compound notes
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