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Basic information
- CAS
283613-09-2- Standard SMILES
CCOC(=O)CC(NS(=O)(=O)c1ccccc1)c1cccc(N)c1- InChIKey
IDRCZQSIMMQVSH-UHFFFAOYSA-N- Molecular formula
- C17H20N2O4S
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.11437812
Names & identifiers
- Preferred name
- Ethyl 3-(3-aminophenyl)-3-benzenesulphonylamino-propionate
- IUPAC
- ethyl 3-(3-aminophenyl)-3-(benzenesulfonamido)propanoate
Names & synonyms
SCHEMBL3837360Ethyl 3-(3-aminophenyl)-3-benzenesulphonylamino-propionateIDRCZQSIMMQVSH-UHFFFAOYSA-NDTXSID601200277283613-09-2Ethyl 3-amino-I(2)-[(phenylsulfonyl)amino]benzenepropanoateEthyl 3-benzenesulphonylamino-3-(3-aminophenyl)-propionateEthyl 3-(3-aminophenyl)-3-[(benzenesulfonyl)amino]propanoate
Database identifiers
- CAS
283613-09-2- PubChem CID
- 15907252
- DTXSID
DTXSID601200277
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Related reactions
5 records
Compound notes
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