1-(4-Bromophenylsulfonyl)-[1,4]diazepane
Basic information
- CAS
188527-16-4- Standard SMILES
O=S(=O)(c1ccc(Br)cc1)N1CCCNCC1- InChIKey
BUWVCVKTEPJIRB-UHFFFAOYSA-N- Molecular formula
- C11H15BrN2O2S
- Average molar mass
- 319.22 g/mol
- Monoisotopic mass
- 318.00376
Names & identifiers
- Preferred name
- 1-(4-Bromophenylsulfonyl)-[1,4]diazepane
- IUPAC
- 1-(4-bromophenyl)sulfonyl-1,4-diazepane
- English name
- 1-(4-BroMophenylsulfonyl)hoMopiperazine, 95%
- Molecular formula
- C11H15BrN2O2S
- Molecular weight
- 319.22
Names & synonyms
1-(4-Bromophenylsulfonyl)-[1,4]diazepane188527-16-41-(4-bromophenyl)sulfonyl-1,4-diazepane1-((4-Bromophenyl)sulfonyl)-1,4-diazepaneDTXSID501216261SBB040966AKOS0001968851-(4-Bromobenzene-1-sulfonyl)-1,4-diazepane4-bromo-1-(1,4-diazaperhydroepinylsulfonyl)benzene1-[(4-Bromophenyl)sulfonyl]hexahydro-1H-1,4-diazepine1-(4-BroMophenylsulfonyl)hoMopiperazine, 95%1H-1,4-Diazepine, 1-[(4-bromophenyl)sulfonyl]hexahydro-
Database identifiers
- CAS
188527-16-4- PubChem CID
- 16637150
- DTXSID
DTXSID501216261
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 429.7 · 429.7±55.0 °C(Predicted)
- Density
- 1.486 · 1.486±0.06 g/cm3(Predicted)
- pka
- 9.76 · 9.76±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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