Basic information
- Standard SMILES
O=C(O)CCCc1ccc(NS(=O)(=O)c2ccccc2)cc1- InChIKey
LLCKMHASBLSYBE-UHFFFAOYSA-N- Molecular formula
- C16H17NO4S
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- 4-[4-(Benzenesulfonylamino)-phenyl]-butyric acid
- IUPAC
- 4-[4-(benzenesulfonamido)phenyl]butanoic acid
Names & synonyms
CHEMBL314339SCHEMBL2692935LLCKMHASBLSYBE-UHFFFAOYSA-NDB-2054304-[(Phenylsulfonyl)amino]benzenebutanoic acid4-[4-(phenyl-sulphonamido)phenyl]butyric acid4-[4-(benzenesulfonylamino)-phenyl]-butyric acidL003835129948-69-2
Database identifiers
- PubChem CID
- 9840035
- ChEMBL
CHEMBL314339
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Related reactions
10 records
Compound notes
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