Basic information
- CAS
1443-97-6- Standard SMILES
O=C(NN1CCCCCC1)NS(=O)(=O)c1ccccc1- InChIKey
NZDKMBBIDFIQEZ-UHFFFAOYSA-N- Molecular formula
- C13H19N3O3S
- Average molar mass
- 297.38 g/mol
- Monoisotopic mass
- 297.11471265
Names & identifiers
- Preferred name
- 1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea
- IUPAC
- 1-(azepan-1-yl)-3-(benzenesulfonyl)urea
Names & synonyms
BF0RJC933R1-(Hexahydro-1H-azepin-1-yl)-3-(phenyl sulfonyl)urea1443-97-6Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(phenylsulfonyl)-Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)amino)carbonyl)-UNII-BF0RJC933R
Database identifiers
- CAS
1443-97-6- PubChem CID
- 15045
- UNII
- BF0RJC933R
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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