Basic information
- CAS
1171918-87-8- Standard SMILES
CC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4Cl)o3)cc2)C1- InChIKey
XGQJZKBVFHXVDM-UHFFFAOYSA-N- Molecular formula
- C21H20Cl2N4O4S
- Average molar mass
- 495.4 g/mol
- Monoisotopic mass
- 494.0582317
Names & identifiers
- Preferred name
- N-(5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl)-4-((3-methylpiperidin-1-yl)sulfonyl)benzamide
- IUPAC
- N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
Names & synonyms
DTXSID1011189281171918-87-8N-(5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl)-4-((3-methylpiperidin-1-yl)sulfonyl)benzamideF2518-1653N-[5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylpiperidine-1-sulfonyl)benzamideN-[5-(2,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide
Database identifiers
- CAS
1171918-87-8- PubChem CID
- 43976996
- DTXSID
DTXSID101118928
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 759
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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