Basic information
- Standard SMILES
CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1- InChIKey
ZOTPGNNXVONELT-UHFFFAOYSA-N- Molecular formula
- C21H33N3O2S2
- Average molar mass
- 423.6 g/mol
- Monoisotopic mass
- 423.20141965
Names & identifiers
- Preferred name
- 4-dodecyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
- IUPAC
- 4-dodecyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Names & synonyms
CHEMBL16850524-dodecyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamideSCHEMBL283819ZOTPGNNXVONELT-UHFFFAOYSA-NBDBM50338952
Database identifiers
- PubChem CID
- 53322377
- ChEMBL
CHEMBL1685052
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 502
Related reactions
4 records
Compound notes
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