Basic information
- CAS
692762-06-4- Standard SMILES
O=C(N1CCCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1- InChIKey
HHKQVEGZVVKHOO-UHFFFAOYSA-N- Molecular formula
- C15H21N3O3S
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.13036271
Names & identifiers
- Preferred name
- (4-(Phenylsulfonyl)piperazin-1-yl)(pyrrolidin-1-yl)methanone
- IUPAC
- [4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
Names & synonyms
692762-06-4(4-(phenylsulfonyl)piperazin-1-yl)(pyrrolidin-1-yl)methanone[4-(benzenesulfonyl)piperazin-1-yl]-pyrrolidin-1-ylmethanoneMLS001221416F1757-0328CHEMBL1508778(4-Benzenesulfonyl-piperazin-1-yl)-pyrrolidin-1-yl-methanoneDTXSID701332542HMS2895H03AKOS000604821SMR000612678ST50284942
Show more names
4-(phenylsulfonyl)piperazinyl pyrrolidinyl ketoneAP-124/425037471-(phenylsulfonyl)-4-(1-pyrrolidinylcarbonyl)piperazine[4-(Benzenesulfonyl)piperazin-1-yl](pyrrolidin-1-yl)methanone
Database identifiers
- CAS
692762-06-4- PubChem CID
- 701243
- DTXSID
DTXSID701332542- ChEMBL
CHEMBL1508778
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 483
Experimental & physicochemical properties
Solubility34.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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