4-chloro-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide
Basic information
- CAS
743471-18-3- Standard SMILES
Cc1sc2ncnc(NS(=O)(=O)c3ccc(Cl)cc3)c2c1C- InChIKey
MFWYENUYAAPTSE-UHFFFAOYSA-N- Molecular formula
- C14H12ClN3O2S2
- Average molar mass
- 353.8 g/mol
- Monoisotopic mass
- 353.0059467
Names & identifiers
- Preferred name
- 4-chloro-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide
- IUPAC
- 4-chloro-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide
Names & synonyms
4-chloro-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamideMLS002252504CHEMBL1732992DTXSID501324189HMS3062H08AKOS034154633743471-18-3SMR000833505Z312108454-Chloro-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)benzene-1-sulfonamide
Database identifiers
- CAS
743471-18-3- PubChem CID
- 2084064
- DTXSID
DTXSID501324189- ChEMBL
CHEMBL1732992
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 491
Experimental & physicochemical properties
Solubility47.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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