Basic information
- Standard SMILES
CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](N)Cc2ccc(Cl)cc2)CC1- InChIKey
FHUODRKZJHDBGS-KRWDZBQOSA-N- Molecular formula
- C20H25ClN4O3S
- Average molar mass
- 437 g/mol
- Monoisotopic mass
- 436.1335895
Names & identifiers
- Preferred name
- (2s)-2-Amino-3-(4-chlorophenyl)-1-(4-{2-[(methylsulfonyl)amino]phenyl}-piperazinyl)propan-1-one
- IUPAC
- N-[2-[4-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]piperazin-1-yl]phenyl]methanesulfonamide
Names & synonyms
SCHEMBL4514596FHUODRKZJHDBGS-KRWDZBQOSA-N(2s)-2-amino-3-(4-chlorophenyl)-1-(4-{2-[(methylsulfonyl)amino]phenyl}-piperazinyl)propan-1-one
Database identifiers
- PubChem CID
- 69074863
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 641
Related reactions
2 records
Compound notes
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