4-(1-Methanesulfonylethyl)aniline
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Basic information
- Standard SMILES
CC(c1ccc(N)cc1)S(C)(=O)=O- InChIKey
JUTRKLQKWPZWKZ-UHFFFAOYSA-N- Molecular formula
- C9H13NO2S
- Average molar mass
- 199.27 g/mol
Names & identifiers
- Preferred name
- 4-(1-Methanesulfonylethyl)aniline
- IUPAC
- 4-(1-methylsulfonylethyl)aniline
Names & synonyms
596131-26-94-(1-methanesulfonylethyl)anilineSCHEMBL2051521JUTRKLQKWPZWKZ-UHFFFAOYSA-N4-[1-(methylsulfonyl)ethyl]aniline4-(1-Methanesulfonyl-ethyl)-phenylamineDA-21661
Database identifiers
- PubChem CID
- 59674142
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Related reactions
6 records
Compound notes
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