Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate

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Basic information

CAS: 5411-30-3
Standard SMILES: CCOC(=O)c1ccc(N(CC2CO2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIKey: LIIATWHEFUPOBI-UHFFFAOYSA-N
Molecular formula: C19H21NO5S
Average molar mass: 375.4 g/mol
Monoisotopic mass: 375.11404394

Names & identifiers

Preferred name: Ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoate
IUPAC: ethyl 4-[(4-methylphenyl)sulfonyl-(oxiran-2-ylmethyl)amino]benzoate

Names & synonyms

MLS0026381685411-30-3HMS3080K19NSC10946CHEMBL1871342DTXSID30278992ethyl 4-[[(4-methylphenyl)sulfonyl](2-oxiranylmethyl)amino]benzoateNSC-10946SMR001547657Ethyl 4-{4-methyl-N-[(oxiran-2-yl)methyl]benzene-1-sulfonamido}benzoate

Database identifiers

CAS: 5411-30-3
PubChem CID: 223364
DTXSID: DTXSID30278992
ChEMBL: CHEMBL1871342

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 84.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 571

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Compound notes

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