Basic information
- CAS
325732-21-6- Standard SMILES
O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1- InChIKey
LLFIQYXNGCVXBN-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO4S
- Average molar mass
- 311.74 g/mol
- Monoisotopic mass
- 311.0019067
Names & identifiers
- Preferred name
- 3-((2-Chlorophenyl)sulfamoyl)benzoic acid
- IUPAC
- 3-[(2-chlorophenyl)sulfamoyl]benzoic acid
Names & synonyms
3-[(2-chlorophenyl)sulfamoyl]benzoic acid325732-21-63-((2-Chlorophenyl)sulfamoyl)benzoic acidRefChem:488258875-327-23-(2-Chloro-phenylsulfamoyl)-benzoic acidMLS0000995293-{[(2-chlorophenyl)amino]sulfonyl}benzoic acidMFCD02696649SMR000074222Oprea1_488383Oprea1_721662
Show more names
cid_699751SCHEMBL7373672CHEMBL1421068BDBM40978HMS1591G20HMS2157F11HMS3308J01ANA73221
Database identifiers
- CAS
325732-21-6- PubChem CID
- 699751
- ChEMBL
CHEMBL1421068- EC Number
- 875-327-2
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 448
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
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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. 5 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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