3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
Basic information
- CAS
185300-33-8- Standard SMILES
COc1ccc(S(=O)(=O)NCc2ccccn2)cc1OC- InChIKey
PXYVEVUKFZWQSO-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4S
- Average molar mass
- 308.35 g/mol
- Monoisotopic mass
- 308.08307817
Names & identifiers
- Preferred name
- 3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
- IUPAC
- 3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
Names & synonyms
3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide185300-33-8Oprea1_081429Oprea1_374256MLS0011976973,4-Dimethoxy-N-pyridin-2-ylmethyl-benzenesulfonamideSCHEMBL7425459CHEMBL1713982DTXSID001325437HMS2861H19CCG-27377STL168288
Show more names
AKOS000383179SMR000559800ST51068714AG-690/11304258[(3,4-dimethoxyphenyl)sulfonyl](2-pyridylmethyl)amineZ455244773,4-dimethoxy-N-[(pyridin-2-yl)methyl]benzene-1-sulfonamide
Database identifiers
- CAS
185300-33-8- PubChem CID
- 768995
- DTXSID
DTXSID001325437- ChEMBL
CHEMBL1713982
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 410
Experimental & physicochemical properties
Solubility43 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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