Basic information
- Standard SMILES
CCc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1- InChIKey
MXWQMHKOKZDLSJ-UHFFFAOYSA-N- Molecular formula
- C20H22N4O3S2
- Average molar mass
- 430.5 g/mol
Names & identifiers
- Preferred name
- 1-[2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-4-ethylbenzoyl]-piperidine
- IUPAC
- N-[5-ethyl-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
Names & synonyms
CHEMBL373703SCHEMBL13792853MXWQMHKOKZDLSJ-UHFFFAOYSA-NBDBM501962171-[2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4-ethylbenzoyl]-piperidineBenzo[1,2,5]thiadiazole-4-sulfonic acid [5-ethyl-2-(piperidine-1-carbonyl)-phenyl]-amide
Database identifiers
- PubChem CID
- 11396307
- ChEMBL
CHEMBL373703
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 678
Related reactions
3 records
Compound notes
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