methyl 4-N-methylpiperazinosulphonylphenylacetate
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Basic information
- Standard SMILES
COC(=O)C(c1ccccc1)S(=O)(=O)N1CCN(C)CC1- InChIKey
PJVUOWPNGGCOSE-UHFFFAOYSA-N- Molecular formula
- C14H20N2O4S
- Average molar mass
- 312.39 g/mol
- Monoisotopic mass
- 312.1143783
Names & identifiers
- Preferred name
- methyl 4-N-methylpiperazinosulphonylphenylacetate
- IUPAC
- methyl 2-(4-methylpiperazin-1-yl)sulfonyl-2-phenylacetate
Names & synonyms
SCHEMBL7896923PJVUOWPNGGCOSE-UHFFFAOYSA-Nmethyl 4-N-methylpiperazinosulphonylphenylacetate
Database identifiers
- PubChem CID
- 70222736
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 446
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Related reactions
2 records
Compound notes
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