2-Phenylethyl 4-(dimethylsulfamoyl)benzoate
Basic information
- CAS
750606-75-8- Standard SMILES
CN(C)S(=O)(=O)c1ccc(C(=O)OCCc2ccccc2)cc1- InChIKey
FKRPRXCODXHQAA-UHFFFAOYSA-N- Molecular formula
- C17H19NO4S
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.10347926
Names & identifiers
- Preferred name
- 2-Phenylethyl 4-(dimethylsulfamoyl)benzoate
- IUPAC
- 2-phenylethyl 4-(dimethylsulfamoyl)benzoate
Names & synonyms
2-phenylethyl 4-(dimethylsulfamoyl)benzoateMLS001175341CHEMBL1713518DTXSID401332612HMS2919N05AKOS034043158750606-75-8SMR000590626Z28197952
Database identifiers
- CAS
750606-75-8- PubChem CID
- 2115182
- DTXSID
DTXSID401332612- ChEMBL
CHEMBL1713518
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Experimental & physicochemical properties
Solubility0.9 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…