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Basic information
- Standard SMILES
NC1(C(=O)NC(CCS(N)(=O)=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1- InChIKey
YZSVVNBHGXXQBM-UHFFFAOYSA-N- Molecular formula
- C21H26ClN7O3S
- Average molar mass
- 492 g/mol
- Monoisotopic mass
- 491.1506366
Names & identifiers
- Preferred name
- 4-amino-N-(1-(4-chlorophenyl)-3-sulfamoylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
- IUPAC
- 4-amino-N-[1-(4-chlorophenyl)-3-sulfamoylpropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Names & synonyms
CHEMBL2325734SCHEMBL386859YZSVVNBHGXXQBM-UHFFFAOYSA-NBDBM504273554-amino-N-(1-(4-chlorophenyl)-3-sulfamoylpropyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
Database identifiers
- PubChem CID
- 57750381
- ChEMBL
CHEMBL2325734
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 779
Related reactions
2 records
Compound notes
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