Basic information
- Standard SMILES
COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1- InChIKey
IRGQOQZEMROKPB-UHFFFAOYSA-N- Molecular formula
- C12H15NO5S
- Average molar mass
- 285.32 g/mol
- Monoisotopic mass
- 285.06709375
Names & identifiers
- Preferred name
- Methyl 3-(morpholinosulfonyl)benzoate
- IUPAC
- methyl 3-morpholin-4-ylsulfonylbenzoate
Names & synonyms
methyl 3-(morpholinosulfonyl)benzoate412940-98-8methyl 3-(morpholine-4-sulfonyl)benzoatemethyl 3-morpholin-4-ylsulfonylbenzoateMLS000068625CBMicro_018943Oprea1_183793Oprea1_2448403-(Morpholine-4-sulfonyl)-benzoic acid methyl esterCHEMBL1607136SCHEMBL10176094IRGQOQZEMROKPB-UHFFFAOYSA-N
Show more names
HMS1673A02HMS2374L22CCG-7111AKOS000729651NCGC00181863-01SMR000122977BIM-0019079.P001
Database identifiers
- PubChem CID
- 779656
- ChEMBL
CHEMBL1607136
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 410
Related reactions
4 records
Linked notes
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