2-(4-Chlorophenoxy-methyl)-2-benzylsulfonylamino-propionitrile
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Basic information
- Standard SMILES
CC(C#N)(COc1ccc(Cl)cc1)NS(=O)(=O)Cc1ccccc1- InChIKey
TZSNMQHGYYXFOT-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O3S
- Average molar mass
- 364.8 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chlorophenoxy-methyl)-2-benzylsulfonylamino-propionitrile
- IUPAC
- N-[1-(4-chlorophenoxy)-2-cyanopropan-2-yl]-1-phenylmethanesulfonamide
Names & synonyms
SCHEMBL3815007TZSNMQHGYYXFOT-UHFFFAOYSA-N2-(4-chlorophenoxy-methyl)-2-benzylsulfonylamino-propionitrile
Database identifiers
- PubChem CID
- 11624771
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 540
Related reactions
2 records
Compound notes
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