2-[(4-Aminophenyl)sulfonylamino]pentanedioic acid
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Basic information
- CAS
6328-29-6- Standard SMILES
Nc1ccc(S(=O)(=O)NC(CCC(=O)O)C(=O)O)cc1- InChIKey
UZGJVXZBHAGASZ-UHFFFAOYSA-N- Molecular formula
- C11H14N2O6S
- Average molar mass
- 302.31 g/mol
- Monoisotopic mass
- 302.05725734
Names & identifiers
- Preferred name
- 2-[(4-Aminophenyl)sulfonylamino]pentanedioic acid
- IUPAC
- 2-[(4-aminophenyl)sulfonylamino]pentanedioic acid
- English name
- 2-[(4-aminophenyl)sulfonylamino]pentanedioic acid
- Molecular formula
- C11H14N2O6S
- Molecular weight
- 302.31
Names & synonyms
2-[(4-aminophenyl)sulfonylamino]pentanedioic acid6328-29-66946-28-7NSC43657NCIOpen2_007547DTXSID00286064NSC57120NSC-43657NSC-57120N-(4-Aminobenzene-1-sulfonyl)glutamic acidL-Glutamic acid, N-[(4-aminophenyl)sulfonyl]-
Database identifiers
- CAS
6328-29-6、6946-28-7- PubChem CID
- 238977
- DTXSID
DTXSID00286064
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Melting point
- 192 · 192-194 °C
- Boiling point
- 595.9 · 595.9±60.0 °C(Predicted)
- Density
- 1.527 · 1.527±0.06 g/cm3(Predicted)
- pka
- 3.32 · 3.32±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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