N-[[4-(3,5-Dimethoxyphenyl)-1-(phenylmethyl)piperazin-2-yl]methyl]-4-[(ethylsulfonyl)amino]benzenesulfonamide
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Basic information
- Standard SMILES
CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2CN(c3cc(OC)cc(OC)c3)CCN2Cc2ccccc2)cc1- InChIKey
KVPYDKLCBUBWSM-UHFFFAOYSA-N- Molecular formula
- C28H36N4O6S2
- Average molar mass
- 588.7 g/mol
- Monoisotopic mass
- 588.20762723
Names & identifiers
- Preferred name
- N-[[4-(3,5-Dimethoxyphenyl)-1-(phenylmethyl)piperazin-2-yl]methyl]-4-[(ethylsulfonyl)amino]benzenesulfonamide
- IUPAC
- N-[[1-benzyl-4-(3,5-dimethoxyphenyl)piperazin-2-yl]methyl]-4-(ethylsulfonylamino)benzenesulfonamide
Names & synonyms
SCHEMBL9594561KVPYDKLCBUBWSM-UHFFFAOYSA-NN-[[4-(3,5-Dimethoxyphenyl)-1-(phenylmethyl)piperazin-2-yl]methyl]-4-[(ethylsulfonyl)amino]benzenesulfonamide
Database identifiers
- PubChem CID
- 14998793
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 960
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Related reactions
3 records
Compound notes
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