N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylbenzenesulfonamide
Basic information
- CAS
64880-90-6- Standard SMILES
Cc1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCO3)cc1- InChIKey
FHBDDXKFZRTMCI-UHFFFAOYSA-N- Molecular formula
- C16H17NO4S
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.0878292
Names & identifiers
- Preferred name
- N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylbenzenesulfonamide
- IUPAC
- N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylbenzenesulfonamide
Names & synonyms
64880-90-6N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylbenzenesulfonamideN-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-methylbenzene-1-sulfonamideAN-970/40920815N-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-methylbenzenesulfonamideN-[2-(Benzo[d][1,3]dioxol-5-yl)ethyl]-4-methylbenzenesulfonamideSCHEMBL28498338DTXSID70356985HS-4410
Database identifiers
- CAS
64880-90-6- PubChem CID
- 839342
- DTXSID
DTXSID70356985- Nikkaji
- J1.645.058H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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