Basic information
- CAS
3572-41-6- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1- InChIKey
PCAGBWNSEHFSDS-UHFFFAOYSA-N- Molecular formula
- C13H17N3O2S2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.07621914
Names & identifiers
- Preferred name
- p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-
- IUPAC
- 4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
Names & synonyms
3572-41-6FWH 106BRN 0271816p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-p-Methylbenzenesulfonamido-5-isobutyl-1,3,4-thiadiazoleN-(5-Isobutyl-1,3,4-thiadiazol-2-yl)-p-toluenesulfonamideDTXSID401892424-27-00-08084 (Beilstein Handbook Reference)Benzenesulfonamide, 4-methyl-N-(5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl)-NSC 97573RefChem:367774DTXCID70111733
Show more names
4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide4-METHYL-N-[5-(2-METHYLPROPYL)-1,3,4-THIADIAZOL-2-YL]BENZENE-1-SULFONAMIDESCHEMBL5410329HMS5162O04NSC97573NSC-97573STK035149AKOS003092387
Database identifiers
- CAS
3572-41-6- PubChem CID
- 97034
- DTXSID
DTXSID40189242
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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