Basic information
- CAS
53226-44-1- Standard SMILES
Cc1ccc(S(=O)(=O)NCCC(C)C)cc1- InChIKey
LKTXDNCQAMQPSI-UHFFFAOYSA-N- Molecular formula
- C12H19NO2S
- Average molar mass
- 241.35 g/mol
- Monoisotopic mass
- 241.11365002
Names & identifiers
- Preferred name
- 4-methyl-N-(3-methylbutyl)benzenesulfonamide
- IUPAC
- 4-methyl-N-(3-methylbutyl)benzenesulfonamide
Names & synonyms
4-methyl-N-(3-methylbutyl)benzenesulfonamide53226-44-1Benzenesulfonamide, 4-methyl-N-(3-methylbutyl)-N-isopentyl-4-methylbenzenesulfonamide4-methyl-N-(3-methylbutyl)benzene-1-sulfonamideOprea1_658693SCHEMBL20327817DTXSID20358474AKOS001045762DB-412869ST50716428(3-methylbutyl)[(4-methylphenyl)sulfonyl]amine
Show more names
AJ-292/14925659Z45526982
Database identifiers
- CAS
53226-44-1- PubChem CID
- 899402
- DTXSID
DTXSID20358474- Nikkaji
- J1.800.477A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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