Basic information
- Standard SMILES
O=S(=O)(c1ccc(Cl)cc1)N1Cc2cn[nH]c2CC1c1ccc(Cl)cc1- InChIKey
ZRCZGEIHIFDAPM-UHFFFAOYSA-N- Molecular formula
- C18H15Cl2N3O2S
- Average molar mass
- 408.3 g/mol
- Monoisotopic mass
- 407.0262033
Names & identifiers
- Preferred name
- 6-(4-Chlorophenyl)-5-(4-chlorophenylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
- IUPAC
- 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
Names & synonyms
CHEMBL1093400SCHEMBL3066374ZRCZGEIHIFDAPM-UHFFFAOYSA-NBDBM504820526-(4-Chlorophenyl)-5-(4-chlorophenylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Database identifiers
- PubChem CID
- 16730477
- ChEMBL
CHEMBL1093400
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 584
Related reactions
2 records
Compound notes
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