Basic information
- CAS
380194-98-9- Standard SMILES
CCOc1ccc(S(=O)(=O)Nc2cc(NS(=O)(=O)c3ccc(OCC)cc3)cc(C(=O)O)c2)cc1- InChIKey
TUULOZKOYXUBCT-UHFFFAOYSA-N- Molecular formula
- C23H24N2O8S2
- Average molar mass
- 520.6 g/mol
- Monoisotopic mass
- 520.09740808
Names & identifiers
- Preferred name
- 3,5-Bis(4-ethoxybenzenesulfonamido)benzoic acid
- IUPAC
- 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoic acid
Names & synonyms
3,5-bis(4-ethoxybenzenesulfonamido)benzoic acid380194-98-9RefChem:486523967-130-63,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoic AcidOprea1_182706MLS002251645CHEMBL1596132HMS3068A08AKOS000114733SMR001314033EN300-00416
Show more names
3,5-bis(4-ethoxybenzenesulfonamido)benzoicacidG347263,5-bis[(4-ethoxybenzene)sulfonamido]benzoic acidZ56813902
Database identifiers
- CAS
380194-98-9- PubChem CID
- 2390814
- ChEMBL
CHEMBL1596132- EC Number
- 967-130-6
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 817
Experimental & physicochemical properties
Solubility>78.1 [ug/mL] (The mean of the results at pH 7.4)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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