Basic information
- CAS
6949-80-0- Standard SMILES
O=C(O)C1(NS(=O)(=O)c2ccccc2)CCCC1- InChIKey
DMFCMDXNOIVPQM-UHFFFAOYSA-N- Molecular formula
- C12H15NO4S
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.07217913
Names & identifiers
- Preferred name
- 1-[(Phenylsulfonyl)amino]cyclopentanecarboxylic acid
- IUPAC
- 1-(benzenesulfonamido)cyclopentane-1-carboxylic acid
Names & synonyms
6949-80-01-[(phenylsulfonyl)amino]cyclopentanecarboxylic acid1-(benzenesulfonamido)cyclopentane-1-carboxylic acid1-BENZENESULFONAMIDOCYCLOPENTANE-1-CARBOXYLIC ACIDNSC22853SCHEMBL14676227DTXSID50281741NSC-22853G53695EN300-7544072Z385443222
Database identifiers
- CAS
6949-80-0- PubChem CID
- 229299
- DTXSID
DTXSID50281741
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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