Basic information
- Standard SMILES
CCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1- InChIKey
OTPUUDOLWVWUGE-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2S2
- Average molar mass
- 297.4 g/mol
Names & identifiers
- Preferred name
- 4-butyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
- IUPAC
- 4-butyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
Names & synonyms
4-butyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamideCHEMBL1685046SCHEMBL282536OTPUUDOLWVWUGE-UHFFFAOYSA-NBDBM50338946
Database identifiers
- PubChem CID
- 53323734
- ChEMBL
CHEMBL1685046
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 362
Related reactions
4 records
Compound notes
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