Basic information
- CAS
734546-50-0- Standard SMILES
CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(N)c1- InChIKey
VSXZZSBWKCIUOJ-UHFFFAOYSA-N- Molecular formula
- C16H19ClN2O3S
- Average molar mass
- 354.9 g/mol
- Monoisotopic mass
- 354.0804913
Names & identifiers
- Preferred name
- 3-amino-4-(4-chlorophenoxy)-N,N-diethylbenzene-1-sulfonamide
- IUPAC
- 3-amino-4-(4-chlorophenoxy)-N,N-diethylbenzenesulfonamide
Names & synonyms
3-amino-4-(4-chlorophenoxy)-N,N-diethylbenzene-1-sulfonamide734546-50-0RefChem:497201984-982-43-amino-4-(4-chlorophenoxy)-N,N-diethylbenzenesulfonamideZINC03886633AKOS034466478CS-0220429EN300-06638G36007Z569316953-amino-4-(4-chlorophenoxy)-N,N-diethyl-benzenesulfonamide
Database identifiers
- CAS
734546-50-0- PubChem CID
- 5195802
- EC Number
- 984-982-4
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
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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