2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
Basic information
- CAS
771509-25-2- Standard SMILES
CC(C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2O)CC1- InChIKey
HTFJGPYFTISXPB-UHFFFAOYSA-N- Molecular formula
- C23H30N4O4S
- Average molar mass
- 458.6 g/mol
- Monoisotopic mass
- 458.19877662
Names & identifiers
- Preferred name
- 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
- IUPAC
- 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
Names & synonyms
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamideMLS002244851CHEMBL1704734DTXSID901332481HMS1715M17HMS3056G19AKOS000998859771509-25-2SMR001308524Z445163692-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]propanamide
Database identifiers
- CAS
771509-25-2- PubChem CID
- 3985140
- DTXSID
DTXSID901332481- ChEMBL
CHEMBL1704734
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 721
Experimental & physicochemical properties
Solubility12.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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