2,1-Benzisoxazole-5-sulfonamide, N,N-dimethyl-3-phenyl-
Basic information
- CAS
33249-63-7- Standard SMILES
CN(C)S(=O)(=O)c1ccc2noc(-c3ccccc3)c2c1- InChIKey
WPNDZFSCVCANIU-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3S
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.07251349
Names & identifiers
- Preferred name
- 2,1-Benzisoxazole-5-sulfonamide, N,N-dimethyl-3-phenyl-
- IUPAC
- N,N-dimethyl-3-phenyl-2,1-benzoxazole-5-sulfonamide
- English name
- 2,1-Benzisoxazole-5-sulfonamide, N,N-dimethyl-3-phenyl-
- Molecular formula
- C15H14N2O3S
- Molecular weight
- 302.35
Names & synonyms
BRN 10848542,1-Benzisoxazole-5-sulfonamide, N,N-dimethyl-3-phenyl-N,N-Dimethyl-3-phenyl-2,1-benzisoxazole-5-sulfonamide33249-63-7DTXSID80186896RefChem:241888DTXCID20109387n,n-dimethyl-3-phenyl-2,1-benzoxazole-5-sulfonamide
Database identifiers
- CAS
33249-63-7- PubChem CID
- 214469
- DTXSID
DTXSID80186896
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Boiling point
- 502.1 · 502.1±42.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- pka
- -5.54 · -5.54±0.70(Predicted)
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Compound notes
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