N-(Toluene-4-sulfonylmethyl)-acetamide
Basic information
- CAS
14674-19-2- Standard SMILES
CC(=O)NCS(=O)(=O)c1ccc(C)cc1- InChIKey
PRTRCIJVVRMTGX-UHFFFAOYSA-N- Molecular formula
- C10H13NO3S
- Average molar mass
- 227.28 g/mol
- Monoisotopic mass
- 227.06161445
Names & identifiers
- Preferred name
- N-(Toluene-4-sulfonylmethyl)-acetamide
- IUPAC
- N-[(4-methylphenyl)sulfonylmethyl]acetamide
- English name
- Acetamide, N-[[(4-methylphenyl)sulfonyl]methyl]-
- Molecular formula
- C10H13NO3S
- Molecular weight
- 227.28
Names & synonyms
N-{[(4-methylphenyl)sulfonyl]methyl}acetamideN-(TOLUENE-4-SULFONYLMETHYL)-ACETAMIDE14674-19-2IFLab1_000582SCHEMBL6752911DTXSID501334861HMS1413K10STK400713AKOS001039448SDCCGMLS-0065394.P001IDI1_008801N-[(4-Methylbenzene-1-sulfonyl)methyl]acetamide
Show more names
Acetamide, N-[[(4-methylphenyl)sulfonyl]methyl]-
Z56936645
Database identifiers
- CAS
14674-19-2- PubChem CID
- 763779
- DTXSID
DTXSID501334861
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 133 · 133-136 °C
- Boiling point
- 488.3 · 488.3±45.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- pka
- 13.33 · 13.33±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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