Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)NCc2cccnc2)cc1- InChIKey
LMJJUHXDNQKXAV-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3S
- Average molar mass
- 278.33 g/mol
- Monoisotopic mass
- 278.07251349
Names & identifiers
- Preferred name
- 4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
- IUPAC
- 4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
Names & synonyms
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide206258-93-74-Methoxy-N-pyridin-3-ylmethyl-benzenesulfonamideOprea1_026594Oprea1_808340MLS001210609SCHEMBL1169297CHEMBL1879530LMJJUHXDNQKXAV-UHFFFAOYSA-NHMS2835D23STK031628AKOS000677936
Show more names
UPCMLD0ENAT5678477:001DA-08386SMR000515782ST50032119[(4-methoxyphenyl)sulfonyl](3-pyridylmethyl)amine4-methoxy-N-(3-pyridinylmethyl)benzenesulfonamideAN-652/11116254(4-methoxybenzenesulfonyl)(3-pyridinylmethyl) amine
Database identifiers
- PubChem CID
- 809740
- ChEMBL
CHEMBL1879530
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Experimental & physicochemical properties
Solubility>41.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
15 records
Compound notes
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