3-[(2,3-Dihydro-1,4-benzodioxine-3-carbonylamino)carbamoyl]-4-methoxybenzenesulfonamide
Basic information
- CAS
852665-34-0- Standard SMILES
COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)C1COc2ccccc2O1- InChIKey
FKEWQIMNVCPEER-UHFFFAOYSA-N- Molecular formula
- C17H17N3O7S
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.07872106
Names & identifiers
- Preferred name
- 3-[(2,3-Dihydro-1,4-benzodioxine-3-carbonylamino)carbamoyl]-4-methoxybenzenesulfonamide
- IUPAC
- 3-[(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamoyl]-4-methoxybenzenesulfonamide
Names & synonyms
3-[(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamoyl]-4-methoxybenzenesulfonamideMLS002157372CHEMBL1865437DTXSID901328133HMS3094P06AKOS034191850852665-34-0SMR001239861AB00732348-01Z329555643-[2-(2,3-Dihydro-1,4-benzodioxine-2-carbonyl)hydrazinecarbonyl]-4-methoxybenzene-1-sulfonamide
Database identifiers
- CAS
852665-34-0- PubChem CID
- 4842489
- DTXSID
DTXSID901328133- ChEMBL
CHEMBL1865437
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 681
Experimental & physicochemical properties
Solubility7.8 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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