1-(4-Acetylamino-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester
Basic information
- CAS
304668-31-3- Standard SMILES
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1- InChIKey
WILDMTQQJXXITC-UHFFFAOYSA-N- Molecular formula
- C16H22N2O5S
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.12494298
Names & identifiers
- Preferred name
- 1-(4-Acetylamino-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-(4-acetamidophenyl)sulfonylpiperidine-4-carboxylate
- English name
- ethyl 1-{[4-(acetylamino)phenyl]sulfonyl}piperidine-4-carboxylate
- Molecular formula
- C16H22N2O5S
- Molecular weight
- 354.42
Names & synonyms
1-(4-Acetylamino-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl esterethyl 1-{[4-(acetylamino)phenyl]sulfonyl}piperidine-4-carboxylateCBMicro_014907Oprea1_299097Oprea1_840116SMSF0005342STK052262AKOS000668585CB14874ST011805BIM-0014938.P001EU-0043175
Show more names
4-Piperidinecarboxylic acid, 1-[[4-(acetylamino)phenyl]sulfonyl]-, ethyl ester
AB00037624-01SR-01000477834SR-01000477834-1ethyl 1-(4-acetamidobenzene-1-sulfonyl)piperidine-4-carboxylateethyl 1-{[4-(acetylamino)phenyl]sulfonyl}-4-piperidinecarboxylate304668-31-3
Database identifiers
- CAS
304668-31-3- PubChem CID
- 984587
- EC Number
- 163-575-8
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 541
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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