Basic information
- CAS
5661-14-3- Standard SMILES
CC(=O)NS(=O)(=O)c1ccccc1- InChIKey
JHKCSRBLMSDCML-UHFFFAOYSA-N- Molecular formula
- C8H9NO3S
- Average molar mass
- 199.23 g/mol
- Monoisotopic mass
- 199.03031432
Names & identifiers
- Preferred name
- N-Acetylbenzenesulfonamide
- IUPAC
- N-(benzenesulfonyl)acetamide
- English name
- N-(benzenesulfonyl)acetamide
- Molecular formula
- C8H9NO3S
- Molecular weight
- 199.23
Names & synonyms
N-(benzenesulfonyl)acetamideN-AcetylbenzenesulfonamideN-(phenylsulfonyl)acetamide5661-14-3N-Acetyl-benzolsulfonamidMLS000060679SCHEMBL209631SCHEMBL209632CHEMBL494783SCHEMBL3488898SCHEMBL15415710DTXSID40205178
Show more names
Acetamide, N-(phenylsulfonyl)-
HMS1775N15HMS2498A16AKOS001022027SMR000065472ST50758966AB00424792-09Z56754577
Database identifiers
- CAS
5661-14-3- PubChem CID
- 138554
- DTXSID
DTXSID40205178- ChEMBL
CHEMBL494783- Nikkaji
- J454.955D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 126 °C · 126 °C
- Density
- 1.296 · 1.296±0.06 g/cm3(Predicted)
- pka
- 5.51 · 5.51±0.10(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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