Basic information
- Standard SMILES
O=C(c1ccc(-n2ccnc2)cc1)N1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC1- InChIKey
DJBPJIZCEJIUJR-UHFFFAOYSA-N- Molecular formula
- C22H20ClN5O3S
- Average molar mass
- 469.9 g/mol
Names & identifiers
- Preferred name
- 1-(5-Chloroindol-2-ylsulphonyl)-4-[4-(1-imidazolyl)benzoyl]piperazine
- IUPAC
- [4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone
Names & synonyms
SCHEMBL5193822DJBPJIZCEJIUJR-UHFFFAOYSA-N1-(5-chloroindol-2-ylsulphonyl)-4-[4-(1-imidazolyl)benzoyl]piperazine
Database identifiers
- PubChem CID
- 9934398
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 777
Related reactions
2 records
Compound notes
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