2-(Benzenesulfonamido)-5-(ethylamino)-5-oxopentanoic acid
Basic information
- CAS
83870-89-7- Standard SMILES
CCNC(=O)CCC(NS(=O)(=O)c1ccccc1)C(=O)O- InChIKey
MDYADOVAZQIYAF-UHFFFAOYSA-N- Molecular formula
- C13H18N2O5S
- Average molar mass
- 314.36 g/mol
- Monoisotopic mass
- 314.09364285
Names & identifiers
- Preferred name
- 2-(Benzenesulfonamido)-5-(ethylamino)-5-oxopentanoic acid
- IUPAC
- 2-(benzenesulfonamido)-5-(ethylamino)-5-oxopentanoic acid
Names & synonyms
2-(benzenesulfonamido)-5-(ethylamino)-5-oxopentanoic acidDTXSID5032026583870-89-7RefChem:253177DTXCID90271388NSC356807NSC-356807N~2~-(Benzenesulfonyl)-N-ethylglutamine
Database identifiers
- CAS
83870-89-7- PubChem CID
- 337768
- DTXSID
DTXSID50320265- Nikkaji
- J1.588.287E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 452
Experimental & physicochemical properties
LogP0.38
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Compound notes
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