Basic information
- CAS
6102-94-9- Standard SMILES
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1- InChIKey
LWMVTSYZEHUUAM-UHFFFAOYSA-N- Molecular formula
- C16H17N3O4S
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.09397721
Names & identifiers
- Preferred name
- 1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine
- IUPAC
- 1-(3-nitrophenyl)sulfonyl-4-phenylpiperazine
Names & synonyms
1-(3-Nitro-benzenesulfonyl)-4-phenyl-piperazine6102-94-9DTXSID70293427RefChem:224561DTXCID402445671-[(3-nitrophenyl)sulfonyl]-4-phenylpiperazine1-(3-nitrophenyl)sulfonyl-4-phenylpiperazineNSC89447CBMicro_045593NCIOpen2_009819NSC-89447STK181922
Show more names
AKOS000608734CCG-311072BIM-0045615.P001ST509444081-(3-Nitrobenzene-1-sulfonyl)-4-phenylpiperazine3-nitro-1-[(4-phenylpiperazinyl)sulfonyl]benzene
Database identifiers
- CAS
6102-94-9- PubChem CID
- 259482
- DTXSID
DTXSID70293427
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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