3-acetyl-N,N-dimethylbenzene-1-sulfonamide
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Basic information
- CAS
173158-15-1- Standard SMILES
CC(=O)c1cccc(S(=O)(=O)N(C)C)c1- InChIKey
BJYOVMIYBUJTFD-UHFFFAOYSA-N- Molecular formula
- C10H13NO3S
- Average molar mass
- 227.28 g/mol
- Monoisotopic mass
- 227.06161445
Names & identifiers
- Preferred name
- 3-acetyl-N,N-dimethylbenzene-1-sulfonamide
- IUPAC
- 3-acetyl-N,N-dimethylbenzenesulfonamide
- English name
- 3-acetyl-N,N-dimethylbenzene-1-sulfonamide
- Molecular formula
- C10H13NO3S
- Molecular weight
- 227.28
Names & synonyms
3-acetyl-N,N-dimethylbenzene-1-sulfonamide173158-15-13-acetyl-N,N-dimethylbenzenesulfonamideMFCD111249883-acetyl-N,N-dimethyl-benzenesulfonamideSCHEMBL3653439BJYOVMIYBUJTFD-UHFFFAOYSA-NYGA15815AKOS008940203DB-410638CS-0248984EN300-42070
Show more names
Benzenesulfonamide, 3-acetyl-N,N-dimethyl-
G22822Z45527573
Database identifiers
- CAS
173158-15-1- PubChem CID
- 8467950
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 371.6 · 371.6±44.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- pka
- -5.22 · -5.22±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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