Basic information
- Standard SMILES
O=C(c1ncc(-c2ccncc2)cn1)N1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC1- InChIKey
NSAQIPHWHHJZTN-UHFFFAOYSA-N- Molecular formula
- C22H19ClN6O3S
- Average molar mass
- 482.9 g/mol
Names & identifiers
- Preferred name
- 1-[(5-Chloroindol-2-yl)sulfonyl]-4-[[5-(pyridin-4-yl)pyrimidin-2-yl]carbonyl]piperazine
- IUPAC
- [4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrimidin-2-yl)methanone
Names & synonyms
1wu1SCHEMBL6728636NSAQIPHWHHJZTN-UHFFFAOYSA-NQ270954161-[(5-Chloroindol-2-yl)sulfonyl]-4-[[5-(pyridin-4-yl)pyrimidin-2-yl]carbonyl]piperazine
Database identifiers
- PubChem CID
- 5326879
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 788
Related reactions
4 records
Compound notes
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