N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
Basic information
- CAS
694475-75-7- Standard SMILES
COc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C)cc1C- InChIKey
SIWWXPJBANNKOU-UHFFFAOYSA-N- Molecular formula
- C16H25NO3S
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15551483
Names & identifiers
- Preferred name
- N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
- IUPAC
- N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
Names & synonyms
N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide694475-75-7MLS000621568CHEMBL1448317DTXSID001332622HMS2690H18AKOS005139354SMR000299740ST51063003AP-263/41946678SR-01000269208SR-01000269208-1
Show more names
Z1184857751cyclohexyl[(5-methoxy-2,4-dimethylphenyl)sulfonyl]methylamineN-cyclohexyl-5-methoxy-N,2,4-trimethylbenzene-1-sulfonamide
Database identifiers
- CAS
694475-75-7- PubChem CID
- 975173
- DTXSID
DTXSID001332622- ChEMBL
CHEMBL1448317
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Experimental & physicochemical properties
Solubility1.5 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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