Basic information
- CAS
26020-35-9- Standard SMILES
Cc1ccc(S(=O)(=O)NC(C(=O)CCl)C(C)C)cc1- InChIKey
NCKHHRVMFVHPET-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO3S
- Average molar mass
- 303.81 g/mol
- Monoisotopic mass
- 303.0695923
Names & identifiers
- Preferred name
- p-Toluenesulfonamide, N-(3-chloro-1-isopropylacetonyl)-
- IUPAC
- N-(1-chloro-4-methyl-2-oxopentan-3-yl)-4-methylbenzenesulfonamide
Names & synonyms
26020-35-9p-Toluenesulfonamide, N-(3-chloro-1-isopropylacetonyl)-RefChem:1094222N-(3-Chloro-1-isopropylacetonyl)-p-toluenesulfonamideBRN 5573823N-Tosyl-L-valine chloromethyl ketoneCHEMBL315893DTXSID00948913N-(1-Chloro-4-methyl-2-oxopentan-3-yl)-4-methylbenzene-1-sulfonamide
Database identifiers
- CAS
26020-35-9- PubChem CID
- 4384
- DTXSID
DTXSID00948913- ChEMBL
CHEMBL315893
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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