Basic information
- CAS
442553-61-9- Standard SMILES
CCC(C)(C)C1CCc2oc3c(cc(NS(=O)(=O)c4ccc(C)cc4C)c4ccccc43)c2C1- InChIKey
FTLAVNCKAJUACL-UHFFFAOYSA-N- Molecular formula
- C29H33NO3S
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.21811509
Names & identifiers
- Preferred name
- 2,4-dimethyl-N-(8-tert-pentyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
- IUPAC
- 2,4-dimethyl-N-[8-(2-methylbutan-2-yl)-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]benzenesulfonamide
- English name
- 2,4-dimethyl-N-(8-tert-pentyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
- Molecular formula
- C29H33NO3S
- Molecular weight
- 475.64
Names & synonyms
2,4-dimethyl-N-(8-tert-pentyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamideMFCD03192966AKOS001663960AKOS022002391AQ-390/40897974SR-01000492002SR-01000492002-12,4-DIMETHYL-N-[8-(2-METHYL-2-BUTANYL)-7,8,9,10-TETRAHYDROBENZO[B]NAPHTHO[2,1-D]FURAN-5-YL]BENZENESULFONAMIDE2,4-dimethyl-N-[8-(2-methylbutan-2-yl)-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl]benzenesulfonamideBenzenesulfonamide, N-[8-(1,1-dimethylpropyl)-7,8,9,10-tetrahydrobenzo[b]naphtho[2,1-d]furan-5-yl]-2,4-dimethyl-
Database identifiers
- CAS
442553-61-9- PubChem CID
- 11842178
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 820
Physicochemical properties
- Boiling point
- 630.8 · 630.8±65.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- pka
- 8.68 · 8.68±0.40(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…