Basic information
- CAS
3409-85-6- Standard SMILES
Cc1ccc(S(=O)(=O)N(C)CCI)cc1- InChIKey
KHUIPWWXWPKLEF-UHFFFAOYSA-N- Molecular formula
- C10H14INO2S
- Average molar mass
- 339.2 g/mol
- Monoisotopic mass
- 338.979
Names & identifiers
- Preferred name
- N-(2-Iodoethyl)-N,4-dimethylbenzenesulfonamide
- IUPAC
- N-(2-iodoethyl)-N,4-dimethylbenzenesulfonamide
- English name
- N-(2-IODOETHYL)-N,4-DIMETHYLBENZENESULFONAMIDE
- Molecular formula
- C10H14INO2S
- Molecular weight
- 339.19
Names & synonyms
3409-85-6N-(2-Iodoethyl)-N,4-dimethylbenzenesulfonamideDTXSID60345868RefChem:360828DTXCID00296941N-(2-iodoethyl)-N,4-dimethylbenzene-1-sulfonamideBenzenesulfonamide,N-(2-iodoethyl)-N,4-dimethyl-SCHEMBL16884872KHUIPWWXWPKLEF-UHFFFAOYSA-NAKOS000123454N-(2-Iodoethyl)-N,4-dimethylbenzenesulfonamide #Benzenesulfonamide, N-(2-iodoethyl)-N,4-dimethyl-
Show more names
F8889-3900
Database identifiers
- CAS
3409-85-6- PubChem CID
- 607698
- DTXSID
DTXSID60345868
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 385.6 · 385.6±52.0 °C(Predicted)
- Density
- 1.641 · 1.641±0.06 g/cm3(Predicted)
- pka
- -6.5 · -6.50±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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