N-(2-((3-Fluorophenyl)sulfonyl)-5-(hexahydro-1H-1,4-diazepin-1-yl)phenyl)acetamide
Basic information
- CAS
381666-86-0- Standard SMILES
CC(=O)Nc1cc(N2CCCNCC2)ccc1S(=O)(=O)c1cccc(F)c1- InChIKey
HKTPSAPLJYMJGU-UHFFFAOYSA-N- Molecular formula
- C19H22FN3O3S
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.13659091
Names & identifiers
- Preferred name
- N-(2-((3-Fluorophenyl)sulfonyl)-5-(hexahydro-1H-1,4-diazepin-1-yl)phenyl)acetamide
- IUPAC
- N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonylphenyl]acetamide
Names & synonyms
5MP8210C58UNII-5MP8210C58N-(2-((3-Fluorophenyl)sulfonyl)-5-(hexahydro-1H-1,4-diazepin-1-yl)phenyl)acetamide381666-86-0Acetamide, N-(2-((3-fluorophenyl)sulfonyl)-5-(hexahydro-1H-1,4-diazepin-1-yl)phenyl)-SCHEMBL3128669HKTPSAPLJYMJGU-UHFFFAOYSA-NN-{5-(1,4-diazepan-1-yl)-2-[(3-fluorophenyl)sulfonyl]phenyl}acetamide
Database identifiers
- CAS
381666-86-0- PubChem CID
- 10200469
- UNII
- 5MP8210C58
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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