Basic information
- CAS
565193-17-1- Standard SMILES
COc1ccc(C(=O)O)cc1S(=O)(=O)NCCN(C)C- InChIKey
WPBKAZMLTNYKBR-UHFFFAOYSA-N- Molecular formula
- C12H18N2O5S
- Average molar mass
- 302.35 g/mol
- Monoisotopic mass
- 302.09364285
Names & identifiers
- Preferred name
- 3-{[2-(Dimethylamino)ethyl]sulfamoyl}-4-methoxybenzoic acid
- IUPAC
- 3-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid
Names & synonyms
3-{[2-(dimethylamino)ethyl]sulfamoyl}-4-methoxybenzoic acid565193-17-13-[2-(dimethylamino)ethylsulfamoyl]-4-methoxybenzoic acid3-(2-Dimethylamino-ethylsulfamoyl)-4-methoxy-benzoic acidMLS000760636CHEMBL1505082SCHEMBL15765533HMS2762N10AKOS000114869SMR000370613EN300-00669G26125
Show more names
SR-01000040093SR-01000040093-1Z530384563-{[2-(dimethylamino)ethyl]sulfamoyl}-4-methoxybenzoicacid3-(N-(2-(DIMETHYLAMINO)ETHYL)SULFAMOYL)-4-METHOXYBENZOIC ACID
Database identifiers
- CAS
565193-17-1- PubChem CID
- 2392364
- ChEMBL
CHEMBL1505082- EC Number
- 193-439-3
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 418
Experimental & physicochemical properties
Solubility44.1 [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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