Methyl 4-[(1-phenylethyl)(prop-2-en-1-yl)sulfamoyl]benzoate
Basic information
- CAS
89820-25-7- Standard SMILES
C=CCN(C(C)c1ccccc1)S(=O)(=O)c1ccc(C(=O)OC)cc1- InChIKey
YPNFWNJVRVGRKE-UHFFFAOYSA-N- Molecular formula
- C19H21NO4S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.11912932
Names & identifiers
- Preferred name
- Methyl 4-[(1-phenylethyl)(prop-2-en-1-yl)sulfamoyl]benzoate
- IUPAC
- methyl 4-[1-phenylethyl(prop-2-enyl)sulfamoyl]benzoate
Names & synonyms
89820-25-7methyl 4-[(1-phenylethyl)(prop-2-en-1-yl)sulfamoyl]benzoateDTXSID701009012Benzoic acid, 4-(((1-phenylethyl)-2-propen-1-ylamino)sulfonyl)-, methyl ester
Database identifiers
- CAS
89820-25-7- PubChem CID
- 190102
- DTXSID
DTXSID701009012
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 540
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Compound notes
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