1H-2,3-Benzothiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide
Basic information
- CAS
31846-50-1- Standard SMILES
O=C1c2ccccc2CS(=O)(=O)N1Cc1ccccc1- InChIKey
XUERUNOIASVRRR-UHFFFAOYSA-N- Molecular formula
- C15H13NO3S
- Average molar mass
- 287.3 g/mol
- Monoisotopic mass
- 287.06161445
Names & identifiers
- Preferred name
- 1H-2,3-Benzothiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide
- IUPAC
- 3-benzyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one
- English name
- 8-benzyl-9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.4.0]deca-1,3,5-trien-7- one
- Molecular formula
- C15H13NO3S
- Molecular weight
- 287.33
Names & synonyms
BRN 066759231846-50-11H-2,3-Benzothiazin-4(3H)-one, 3-(phenylmethyl)-, 2,2-dioxide3-(Phenylmethyl)-1H-2,3-benzothiazin-4(3H)-one 2,2-dioxideDTXSID40185709RefChem:237256DTXCID30108200CHEMBL4915039AKOS034745558Z9684599623-Benzyl-2lambda~6~,3-benzothiazine-2,2,4(1H,3H)-trione8-benzyl-9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.4.0]deca-1,3,5-trien-7- one
Database identifiers
- CAS
31846-50-1- PubChem CID
- 208255
- DTXSID
DTXSID40185709- ChEMBL
CHEMBL4915039
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 462
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Compound notes
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