Basic information
- CAS
790709-69-2- Standard SMILES
Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1- InChIKey
VBFCYYGBKWFUMQ-UHFFFAOYSA-N- Molecular formula
- C19H19N3O4S
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.10962727
Names & identifiers
- Preferred name
- 3-cyano-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
- IUPAC
- 3-cyano-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
Names & synonyms
790709-69-23-cyano-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamideCHEMBL2463033-cyano-N-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]benzamideDTXSID00406604BDBM50423201EBC-07209AKOS017031630WAY-352086AB00805113-01EN300-18095930Z26475295
Database identifiers
- CAS
790709-69-2- PubChem CID
- 4831482
- DTXSID
DTXSID00406604- ChEMBL
CHEMBL246303
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 675
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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