Basic information
- CAS
721418-28-6- Standard SMILES
COc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccc(Cl)cc1- InChIKey
DEIJFDZNLYJJDJ-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO5S
- Average molar mass
- 355.8 g/mol
- Monoisotopic mass
- 355.0281214
Names & identifiers
- Preferred name
- 3-(((4-Chlorophenyl)methyl)sulfamoyl)-4-methoxybenzoic acid
- IUPAC
- 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid
Names & synonyms
3-{[(4-chlorophenyl)methyl]sulfamoyl}-4-methoxybenzoic acid721418-28-63-(((4-Chlorophenyl)methyl)sulfamoyl)-4-methoxybenzoic acidRefChem:487943875-536-93-(4-Chloro-benzylsulfamoyl)-4-methoxy-benzoic acid3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-benzoic AcidWDB41828AKOS008022770CS-0219529EN300-04253
Show more names
G31713Z530354473-{[(4-chlorophenyl)methyl]sulfamoyl}-4-methoxybenzoicacid
Database identifiers
- CAS
721418-28-6- PubChem CID
- 2396435
- EC Number
- 875-536-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 498
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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