2-[(4-Methylphenyl)sulfonylcarbamoylamino]propanoic acid
Basic information
- CAS
55704-01-3- Standard SMILES
Cc1ccc(S(=O)(=O)NC(=O)NC(C)C(=O)O)cc1- InChIKey
NJLHPTMXCDYNMR-UHFFFAOYSA-N- Molecular formula
- C11H14N2O5S
- Average molar mass
- 286.31 g/mol
- Monoisotopic mass
- 286.06234272
Names & identifiers
- Preferred name
- 2-[(4-Methylphenyl)sulfonylcarbamoylamino]propanoic acid
- IUPAC
- 2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid
Names & synonyms
55704-01-32-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acidNSC141953AKOS024358870NSC-141953DS-003777ST509881832-({N-[(4-methylphenyl)sulfonyl]carbamoyl}amino)propanoic acid
Database identifiers
- CAS
55704-01-3- PubChem CID
- 285175
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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