(2-Chloro-5-methyl-4-{[5-(piperidine-1-sulfonyl)pyridin-2-yl]amino}phenyl)(4-chlorophenyl)acetonitrile
Basic information
- CAS
7065-82-9- Standard SMILES
Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ccc(S(=O)(=O)N2CCCCC2)cn1- InChIKey
GIYPIBAADBZDRT-UHFFFAOYSA-N- Molecular formula
- C25H24Cl2N4O2S
- Average molar mass
- 515.5 g/mol
- Monoisotopic mass
- 514.0997026
Names & identifiers
- Preferred name
- (2-Chloro-5-methyl-4-{[5-(piperidine-1-sulfonyl)pyridin-2-yl]amino}phenyl)(4-chlorophenyl)acetonitrile
- IUPAC
- 2-[2-chloro-5-methyl-4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]phenyl]-2-(4-chlorophenyl)acetonitrile
Names & synonyms
7065-82-9DTXSID40414627AKOS002776314AKOS016102929(2-Chloro-5-methyl-4-{[5-(piperidine-1-sulfonyl)pyridin-2-yl]amino}phenyl)(4-chlorophenyl)acetonitrile
Database identifiers
- CAS
7065-82-9- PubChem CID
- 5267906
- DTXSID
DTXSID40414627
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 815
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Compound notes
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