1-[(4-Methoxy-3-nitrophenyl)sulfonyl]-4-methylpiperazine
Basic information
- CAS
793715-98-7- Standard SMILES
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]- InChIKey
IYGSZRBSGJTEKJ-UHFFFAOYSA-N- Molecular formula
- C12H17N3O5S
- Average molar mass
- 315.35 g/mol
- Monoisotopic mass
- 315.08889182
Names & identifiers
- Preferred name
- 1-[(4-Methoxy-3-nitrophenyl)sulfonyl]-4-methylpiperazine
- IUPAC
- 1-(4-methoxy-3-nitrophenyl)sulfonyl-4-methylpiperazine
Names & synonyms
793715-98-71-[(4-Methoxy-3-nitrophenyl)sulfonyl]-4-methylpiperazineSCHEMBL16371970IYGSZRBSGJTEKJ-UHFFFAOYSA-NDTXSID001202506Piperazine, 1-[(4-methoxy-3-nitrophenyl)sulfonyl]-4-methyl-AKOS008924103AB00979993-01SR-01000060129SR-01000060129-1Z311315781-(4-Methoxy-3-nitrobenzene-1-sulfonyl)-4-methylpiperazine
Show more names
1-[(4-Methoxy-3-nitrophenyl)sulphonyl]-4-methylpiperazine
Database identifiers
- CAS
793715-98-7- PubChem CID
- 4833477
- DTXSID
DTXSID001202506
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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