Basic information
- CAS
16264-09-8- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1- InChIKey
SYVCJFNSTBNTRR-UHFFFAOYSA-N- Molecular formula
- C17H19N3O4S
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.10962727
Names & identifiers
- Preferred name
- Piperazine, 1-((4-methylphenyl)sulfonyl)-4-(4-nitrophenyl)-
- IUPAC
- 1-(4-methylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
Names & synonyms
16264-09-8Piperazine, 1-[(4-methylphenyl)sulfonyl]-4-(4-nitrophenyl)-Piperazine, 1-((4-methylphenyl)sulfonyl)-4-(4-nitrophenyl)-RefChem:3718131-[(4-Methylphenyl)sulfonyl]-4-(4-nitrophenyl)piperazine1-(4-Methylbenzene-1-sulfonyl)-4-(4-nitrophenyl)piperazine1-((4-METHYLPHENYL)SULFONYL)-4-(4-NITROPHENYL)PIPERAZINEOprea1_689543SYVCJFNSTBNTRR-UHFFFAOYSA-NDTXSID201189926STK050794AKOS003236971
Show more names
CCG-339498ST010915AG-205/10552031SR-01000516319SR-01000516319-11-(4-Nitro-phenyl)-4-(toluene-4-sulfonyl)-piperazine1-{4-nitrophenyl}-4-[(4-methylphenyl)sulfonyl]piperazine4-[(4-methylphenyl)sulfonyl]-1-(4-nitrophenyl)piperazine
Database identifiers
- CAS
16264-09-8- PubChem CID
- 545019
- DTXSID
DTXSID201189926
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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