Basic information
- CAS
81879-95-0- Standard SMILES
O=S(=O)(c1ccccc1)N(CC1CO1)c1ccccc1- InChIKey
KXVMOKANHHXLSB-UHFFFAOYSA-N- Molecular formula
- C15H15NO3S
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.07726451
Names & identifiers
- Preferred name
- Benzenesulfonamide, N-(2-oxiranylmethyl)-N-phenyl-
- IUPAC
- N-(oxiran-2-ylmethyl)-N-phenylbenzenesulfonamide
Names & synonyms
Benzenesulfonamide, N-(2-oxiranylmethyl)-N-phenyl-81879-95-0RefChem:325427N-(oxiran-2-ylmethyl)-N-phenylbenzenesulfonamideSR-01000315248MLS000714388CHEMBL1523434DTXSID701002280HMS2674F24AKOS000567084AKOS030475112NCGC00245306-01
Show more names
SMR000274367ST50373484N-(2,3-epoxypropyl)-N-phenylbenzenesulfonamideN-[(Oxiran-2-yl)methyl]-N-phenylbenzenesulfonamideSR-01000315248-1SR-01000315248-3
Database identifiers
- CAS
81879-95-0- PubChem CID
- 190056
- DTXSID
DTXSID701002280- ChEMBL
CHEMBL1523434
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Experimental & physicochemical properties
Solubility>43.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…