Basic information
- CAS
34129-46-9- Standard SMILES
COc1ccc(N(C(C)CC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
DNVMKYRSOLMCSJ-UHFFFAOYSA-N- Molecular formula
- C18H21NO5S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.11404394
Names & identifiers
- Preferred name
- 3-{(4-Methoxyphenyl)[(4-methylphenyl)sulfonyl]amino}butanoic acid
- IUPAC
- 3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid
Names & synonyms
34129-46-93-{(4-methoxyphenyl)[(4-methylphenyl)sulfonyl]amino}butanoic acidNSC124429SCHEMBL7822343DTXSID90298570NSC-1244293-[N-(4-Methoxyphenyl)-4-methylbenzene-1-sulfonamido]butanoic acid
Database identifiers
- CAS
34129-46-9- PubChem CID
- 276451
- DTXSID
DTXSID90298570
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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