N-[2-[4-(2-Fluorophenyl)-1-piperazinyl]-1-methyl-2-oxoethyl]-4-methylbenzenesulfonamide
Basic information
- CAS
1024023-20-8- Standard SMILES
Cc1ccc(S(=O)(=O)NC(C)C(=O)N2CCN(c3ccccc3F)CC2)cc1- InChIKey
YBHSCZODMGPWMQ-UHFFFAOYSA-N- Molecular formula
- C20H24FN3O3S
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.15224097
Names & identifiers
- Preferred name
- N-[2-[4-(2-Fluorophenyl)-1-piperazinyl]-1-methyl-2-oxoethyl]-4-methylbenzenesulfonamide
- IUPAC
- N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide
Names & synonyms
DTXSID101124953N-[2-[4-(2-Fluorophenyl)-1-piperazinyl]-1-methyl-2-oxoethyl]-4-methylbenzenesulfonamide1024023-20-8N-{1-[4-(2-Fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-4-methylbenzene-1-sulfonamide
Database identifiers
- CAS
1024023-20-8- PubChem CID
- 3977248
- DTXSID
DTXSID101124953
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 623
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Compound notes
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