Benzamide, N-(2-(diethylamino)ethyl)-p-(isopropylsulfonyl)-
Basic information
- CAS
21140-77-2- Standard SMILES
CCN(CC)CCNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1- InChIKey
SSQJVLWYFZVKPZ-UHFFFAOYSA-N- Molecular formula
- C16H26N2O3S
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.16641387
Names & identifiers
- Preferred name
- Benzamide, N-(2-(diethylamino)ethyl)-p-(isopropylsulfonyl)-
- IUPAC
- N-[2-(diethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
- English name
- N-[2-(Diethylamino)ethyl]-p-(isopropylsulfonyl)benzamide
- Molecular formula
- C16H26N2O3S
- Molecular weight
- 326.45
Names & synonyms
BRN 310273421140-77-2BENZAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-p-(ISOPROPYLSULFONYL)-DTXSID20175385N-(2-(Diethylamino)ethyl)-p-(isopropylsulfonyl)benzamideN-[2-(Diethylamino)ethyl]-p-(isopropylsulfonyl)benzamideRefChem:322209DTXCID5097876N-[2-(DIETHYLAMINO)ETHYL]-4-(PROPANE-2-SULFONYL)BENZAMIDEBenzamide, N-[2-(diethylamino)ethyl]-4-[(1-methylethyl)sulfonyl]-
Database identifiers
- CAS
21140-77-2- PubChem CID
- 30500
- DTXSID
DTXSID20175385- Nikkaji
- J149.092C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 510.4 · 510.4±50.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- pka
- 13.4 · 13.40±0.46(Predicted)
- Comptox DTXSID
- 20175385 · DTXSID20175385
- HS Code
- 2930909099 · 2930909099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930909099
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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