2-[(Ethylsulfonyl)amino]-4-fluorobenzenebutanoic acid
Basic information
- CAS
355133-96-9- Standard SMILES
CCS(=O)(=O)Nc1cc(F)ccc1CCCC(=O)O- InChIKey
NUMDBSFSBNEUAI-UHFFFAOYSA-N- Molecular formula
- C12H16FNO4S
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.07840733
Names & identifiers
- Preferred name
- 2-[(Ethylsulfonyl)amino]-4-fluorobenzenebutanoic acid
- IUPAC
- 4-[2-(ethylsulfonylamino)-4-fluorophenyl]butanoic acid
Names & synonyms
355133-96-92-[(Ethylsulfonyl)amino]-4-fluorobenzenebutanoic acidSCHEMBL7103445DTXSID9012130334-{2-[(Ethanesulfonyl)amino]-4-fluorophenyl}butanoic acid
Database identifiers
- CAS
355133-96-9- PubChem CID
- 11208486
- DTXSID
DTXSID901213033
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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