Basic information
- CAS
53619-80-0- Standard SMILES
O=S(=O)(c1ccccc1)c1ccc(N2CCCCC2)c2nonc12- InChIKey
MMQGXGDOIYIRHB-UHFFFAOYSA-N- Molecular formula
- C17H17N3O3S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.09906259
Names & identifiers
- Preferred name
- Benzofurazan, 4-(phenylsulfonyl)-7-(1-piperidinyl)-
- IUPAC
- 4-(benzenesulfonyl)-7-piperidin-1-yl-2,1,3-benzoxadiazole
- English name
- 4-(Phenylsulfonyl)-7-(1-piperidinyl)benzofurazane
- Molecular formula
- C17H17N3O3S
- Molecular weight
- 343.4
Names & synonyms
BENZOFURAZAN, 4-(PHENYLSULFONYL)-7-(1-PIPERIDINYL)-53619-80-0BRN 08356804-(Phenylsulfonyl)-7-piperidinobenzofurazan4-(Phenylsulfonyl)-7-(1-piperidinyl)benzofurazaneDTXSID702018604-(benzenesulfonyl)-7-(piperidin-1-yl)-2,1,3-benzoxadiazoleDB-3247882,1,3-Benzoxadiazole, 4-(phenylsulfonyl)-7-(1-piperidinyl)-
Database identifiers
- CAS
53619-80-0- PubChem CID
- 40832
- DTXSID
DTXSID70201860- Nikkaji
- J71.587E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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