Basic information
- CAS
860650-91-5- Standard SMILES
O=C1NC(=O)C(Cc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)S1- InChIKey
VCFJRLJSEINMOA-UHFFFAOYSA-N- Molecular formula
- C18H18N2O4S2
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- 4-[(2,4-dioxo-1,3-thiazolan-5-yl)methyl]-N-phenethylbenzenesulfonamide
- IUPAC
- 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
- English name
- 4-[(2,4-Dioxo-1,3-thiazolan-5-yl)methyl]-N-phenethylbenzenesulfonamide
- Molecular formula
- C18H18N2O4S2
- Molecular weight
- 390.48
Names & synonyms
860650-91-54-[(2,4-dioxo-1,3-thiazolan-5-yl)methyl]-N-phenethylbenzenesulfonamide4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-(2-phenylethyl)benzene-1-sulfonamide4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-N-(2-phenylethyl)benzenesulfonamideAKOS00507950611T-0853Benzenesulfonamide, 4-[(2,4-dioxo-5-thiazolidinyl)methyl]-N-(2-phenylethyl)-
Database identifiers
- CAS
860650-91-5
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 603
Physicochemical properties
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- pka
- 6.19 · 6.19±0.50(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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