Basic information
- CAS
728925-13-1- Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2- InChIKey
GMFPPLQDHIYIKQ-UHFFFAOYSA-N- Molecular formula
- C19H24N2O5S
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.14059304
Names & identifiers
- Preferred name
- Methyl 2-[(adamantane-1-carbonylamino)sulfamoyl]benzoate
- IUPAC
- methyl 2-[(adamantane-1-carbonylamino)sulfamoyl]benzoate
Names & synonyms
methyl 2-[(adamantane-1-carbonylamino)sulfamoyl]benzoateMLS002252376CHEMBL1733381DTXSID301331392HMS3044O03AKOS034375859728925-13-1SMR001314723Z45742018Methyl 2-[2-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)hydrazinesulfonyl]benzoate
Database identifiers
- CAS
728925-13-1- PubChem CID
- 3612366
- DTXSID
DTXSID301331392- ChEMBL
CHEMBL1733381
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 673
Experimental & physicochemical properties
Solubility3.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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