1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea
Basic information
- CAS
3168-04-5- Standard SMILES
CC(=O)c1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1- InChIKey
NUCDCTBKWODASR-UHFFFAOYSA-N- Molecular formula
- C15H21N3O4S
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.12527733
Names & identifiers
- Preferred name
- 1-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea
- IUPAC
- 1-(4-acetylphenyl)sulfonyl-3-(azepan-1-yl)urea
Names & synonyms
6ER583GF0M3168-04-51-(p-Acetylphenylsulfonyl)-3-(hexahydro-1H-azepin-1-yl)ureaUrea, 1-((p-acetylphenyl)sulfonyl)-3-(hexahydro-1H-azepin-1-yl)-Benzenesulfonamide, 4-acetyl-N-(((hexahydro-1H-azepin-1-yl)amino)carbonyl)-UNII-6ER583GF0M1-(4-acetylphenyl)sulfonyl-3-(azepan-1-yl)ureaDTXSID902746124-Acetyl-N-[(azepan-1-yl)carbamoyl]benzene-1-sulfonamide
Database identifiers
- CAS
3168-04-5- PubChem CID
- 18498
- DTXSID
DTXSID90274612- UNII
- 6ER583GF0M
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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