Ethyl 4-{ethyl[(4-methylphenyl)sulfonyl]amino}benzoate
Basic information
- CAS
70539-63-8- Standard SMILES
CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
PFKUXMITYBCQQM-UHFFFAOYSA-N- Molecular formula
- C18H21NO4S
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.11912932
Names & identifiers
- Preferred name
- Ethyl 4-{ethyl[(4-methylphenyl)sulfonyl]amino}benzoate
- IUPAC
- ethyl 4-[ethyl-(4-methylphenyl)sulfonylamino]benzoate
Names & synonyms
NSC13842270539-63-8ethyl 4-{ethyl[(4-methylphenyl)sulfonyl]amino}benzoateCHEMBL2010950DTXSID30300707Benzoicacid, 4-[ethyl[(4-methylphenyl)sulfonyl]amino]-, ethyl esterNSC-138422DS-007213Ethyl 4-(N-ethyl-4-methylbenzene-1-sulfonamido)benzoate
Database identifiers
- CAS
70539-63-8- PubChem CID
- 283558
- DTXSID
DTXSID30300707- ChEMBL
CHEMBL2010950
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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