Basic information
- CAS
1095012-62-6- Standard SMILES
COc1cc(N)ccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1- InChIKey
MHJBBKPFTZBDCM-UHFFFAOYSA-N- Molecular formula
- C13H12ClFN2O3S
- Average molar mass
- 330.76 g/mol
- Monoisotopic mass
- 330.0241193
Names & identifiers
- Preferred name
- 4-amino-N-(3-chloro-4-fluorophenyl)-2-methoxybenzene-1-sulfonamide
- IUPAC
- 4-amino-N-(3-chloro-4-fluorophenyl)-2-methoxybenzenesulfonamide
Names & synonyms
4-amino-N-(3-chloro-4-fluorophenyl)-2-methoxybenzene-1-sulfonamide1095012-62-64-amino-N-(3-chloro-4-fluorophenyl)-2-methoxybenzenesulfonamideVTB01262AKOS009402863EN300-49623G19913Z406726984
Database identifiers
- CAS
1095012-62-6- PubChem CID
- 43258689
- EC Number
- 155-683-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
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
Loading…