Basic information
- CAS
17173-05-6- Standard SMILES
CN1C(=C2C=CC(=NS(=O)(=O)c3ccc(Cl)cc3)C=C2)Sc2ccccc21- InChIKey
XSOKNUICJBGSKV-UHFFFAOYSA-N- Molecular formula
- C20H15ClN2O2S2
- Average molar mass
- 414.9 g/mol
- Monoisotopic mass
- 414.0263478
Names & identifiers
- Preferred name
- 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-ylidene]benzenesulfonamide
- IUPAC
- 4-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-ylidene]benzenesulfonamide
Names & synonyms
17173-05-6NSC3139944-chloro-N-[4-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-ylidene]benzenesulfonamideDTXSID20317283NSC-3139944-Chloro-N-[(1Z,4Z)-4-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)cyclohexa-2,5-dien-1-ylidene]benzene-1-sulfonamide
Database identifiers
- CAS
17173-05-6- PubChem CID
- 329698
- DTXSID
DTXSID20317283
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 784
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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