Basic information
- CAS
24488-95-7- Standard SMILES
CC(NCc1cc(C=O)no1)c1ccc(S(N)(=O)=O)cc1- InChIKey
JMMRXTZWIJMKQH-UHFFFAOYSA-N- Molecular formula
- C13H15N3O4S
- Average molar mass
- 309.34 g/mol
- Monoisotopic mass
- 309.07832714
Names & identifiers
- Preferred name
- N-(1-(4-(Aminosulphonyl)phenyl)ethyl)-5-methylisoxazole-3-carboxamide
- IUPAC
- 4-[1-[(3-formyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamide
Names & synonyms
N-(1-(4-(Aminosulphonyl)phenyl)ethyl)-5-methylisoxazole-3-carboxamideEINECS 246-285-74-[1-[(3-formyl-1,2-oxazol-5-yl)methylamino]ethyl]benzenesulfonamideDTXSID609473864-(1-{[(3-Formyl-1,2-oxazol-5-yl)methyl]amino}ethyl)benzene-1-sulfonamide
Database identifiers
- CAS
24488-95-7- PubChem CID
- 91192
- DTXSID
DTXSID60947386
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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