1-(4-Fluorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine
Basic information
- CAS
5531-92-0- Standard SMILES
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1- InChIKey
JXQXELBOPXJQHY-UHFFFAOYSA-N- Molecular formula
- C16H16FN3O4S
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.08455534
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine
- IUPAC
- 1-(4-fluorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine
Names & synonyms
1-(4-fluorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine5531-92-01-[(4-fluorophenyl)sulfonyl]-4-(4-nitrophenyl)piperazine1-(4-Fluorobenzene-1-sulfonyl)-4-(4-nitrophenyl)piperazine1-fluoro-4-{[4-(4-nitrophenyl)piperazinyl]sulfonyl}benzene1-[(4-fluorophenyl)sulfonyl]-4-{4-nitrophenyl}piperazine1-((4-FLUOROPHENYL)SULFONYL)-4-(4-NITROPHENYL)PIPERAZINECBMicro_000256Cambridge id 5531920Oprea1_126067DTXSID70386000SMSF0005993
Show more names
STK049246AKOS000673231CB01450CCG-314951ST010944BIM-0000144.P001AG-690/11635573
Database identifiers
- CAS
5531-92-0- PubChem CID
- 2850409
- DTXSID
DTXSID70386000
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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