Basic information
- CAS
1378671-02-3- Standard SMILES
O=S(=O)(c1cnc[nH]1)N1CCC(O)c2ccccc21- InChIKey
BNMHINGKCAKQSB-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3S
- Average molar mass
- 279.32 g/mol
- Monoisotopic mass
- 279.06776246
Names & identifiers
- Preferred name
- 1-(1H-Imidazole-5-sulfonyl)-1,2,3,4-tetrahydroquinolin-4-ol
- IUPAC
- 1-(1H-imidazol-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
Names & synonyms
DTXSID001176656AKOS0136324971-(1H-Imidazole-5-sulfonyl)-1,2,3,4-tetrahydroquinolin-4-ol4-Quinolinol, 1,2,3,4-tetrahydro-1-(1H-imidazol-5-ylsulfonyl)-1378671-02-3
Database identifiers
- CAS
1378671-02-3- PubChem CID
- 64310409
- DTXSID
DTXSID001176656
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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