ethyl (3S)-3-[N-(2-chloro-4-fluorophenyl)sulfamoyl]-3,6-dihydro-2H-pyran-4-carboxylate
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Basic information
- Standard SMILES
CCOC(=O)C1=CCOC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl- InChIKey
LRJFAKQFYIWRQN-CYBMUJFWSA-N- Molecular formula
- C14H15ClFNO5S
- Average molar mass
- 363.8 g/mol
- Monoisotopic mass
- 363.0343496
Names & identifiers
- Preferred name
- ethyl (3S)-3-[N-(2-chloro-4-fluorophenyl)sulfamoyl]-3,6-dihydro-2H-pyran-4-carboxylate
- IUPAC
- ethyl (3S)-3-[(2-chloro-4-fluorophenyl)sulfamoyl]-3,6-dihydro-2H-pyran-4-carboxylate
Names & synonyms
SCHEMBL2234657LRJFAKQFYIWRQN-CYBMUJFWSA-Nethyl (35)-3-[N-(2-chloro-4-fluorophenyl)sulfamoyl]-3,6-dihydro-2H-pyran-4-carboxylateethyl (3S)-3-[N-(2-chloro-4-fluorophenyl)sulfamoyl]-3,6-dihydro-2H-pyran-4-carboxylate
Database identifiers
- PubChem CID
- 53344902
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 562
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Related reactions
1 records
Compound notes
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