Basic information
- Standard SMILES
O=C(O)CCCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cn1- InChIKey
IUCKYMPASVAIRJ-UHFFFAOYSA-N- Molecular formula
- C15H15ClN2O4S
- Average molar mass
- 354.8 g/mol
- Monoisotopic mass
- 354.0441058
Names & identifiers
- Preferred name
- 4-[5-(3-Chlorobenzenesulphonamido)pyrid-2-yl]butanoic acid
- IUPAC
- 4-[5-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]butanoic acid
Names & synonyms
SCHEMBL9656208IUCKYMPASVAIRJ-UHFFFAOYSA-NL0021644-[5-(3-Chlorobenzenesulphonamido)pyrid-2-yl]butanoic acid
Database identifiers
- PubChem CID
- 19865488
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 494
Related reactions
2 records
Compound notes
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