Basic information
- Standard SMILES
O=C(O)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1- InChIKey
BENVHYLMIUNALD-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO4S
- Average molar mass
- 348.21 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-3-(piperidine-1-sulfonyl)-benzoic acid
- IUPAC
- 4-bromo-3-piperidin-1-ylsulfonylbenzoic acid
Names & synonyms
300383-12-44-BROMO-3-(PIPERIDINE-1-SULFONYL)BENZOIC ACID4-Bromo-3-(piperidine-1-sulfonyl)-benzoic acidCambridge id 5319589Oprea1_057062Oprea1_260810SCHEMBL5623047BENVHYLMIUNALD-UHFFFAOYSA-NAKOS000727565AB00080546-01SR-01000399043SR-01000399043-1
Database identifiers
- PubChem CID
- 767902
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
Related reactions
2 records
Compound notes
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