Basic information
- Standard SMILES
CCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O- InChIKey
HUJSFPJYVLVLAP-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO4S
- Average molar mass
- 277.73 g/mol
Names & identifiers
- Preferred name
- (RS)-2-(4-chlorobenzenesulfonylamino)butanoic acid
- IUPAC
- 2-[(4-chlorophenyl)sulfonylamino]butanoic acid
Names & synonyms
CBDivE_007386SCHEMBL8839630HUJSFPJYVLVLAP-UHFFFAOYSA-NAKOS001623877AKOS017264167SR-01000081606(RS)-2-(4-chlorobenzenesulfonylamino)butanoic acid2-(4-CHLOROBENZENESULFONAMIDO)BUTANOIC ACIDSR-01000081606-1
Database identifiers
- PubChem CID
- 3266285
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 357
Related reactions
2 records
Compound notes
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