Basic information
- Standard SMILES
CCN(CC)CCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2- InChIKey
TXKLMMKEDBOWEE-UHFFFAOYSA-N- Molecular formula
- C24H33N3O4S
- Average molar mass
- 459.6 g/mol
- Monoisotopic mass
- 459.21917772
Names & identifiers
- Preferred name
- Anthranilic Acid Sulfonamide, 10f
- IUPAC
- 2-[[2-[3-(diethylamino)propylamino]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
Names & synonyms
CHEMBL211080SCHEMBL3980904BDBM17484TXKLMMKEDBOWEE-UHFFFAOYSA-NAnthranilic Acid Sulfonamide, 10f2-[(2-{[3-(diethylamino)propyl]amino}benzene)sulfonamido]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid2-{[(2-{[3-(diethylamino)propyl]amino}phenyl)sulfonyl]amino}-5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid
Database identifiers
- PubChem CID
- 11518243
- ChEMBL
CHEMBL211080
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 692
Related reactions
1 records
Compound notes
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