3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
Basic information
- CAS
147410-81-9- Standard SMILES
COc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1- InChIKey
LHWPHUNFEGTNIZ-UHFFFAOYSA-N- Molecular formula
- C14H13NO5S
- Average molar mass
- 307.32 g/mol
- Monoisotopic mass
- 307.05144369
Names & identifiers
- Preferred name
- 3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
- IUPAC
- 3-[(4-methoxyphenyl)sulfamoyl]benzoic acid
- English name
- 3-(N-(4-methoxyphenyl)sulfamoyl)benzoic acid
- Molecular formula
- C14H13NO5S
- Molecular weight
- 307.32
Names & synonyms
3-[(4-methoxyphenyl)sulfamoyl]benzoic acid147410-81-93-(4-Methoxy-phenylsulfamoyl)-benzoic acidOprea1_208191Oprea1_730885MLS000060734IFLab1_004699IFLab2_000154CHEMBL1341387HMS1425F13HMS2487O12XFA41081
Show more names
3-(N-(4-methoxyphenyl)sulfamoyl)benzoic acidBenzoic acid, 3-[[(4-methoxyphenyl)amino]sulfonyl]-
MFCD00658171AKOS000114677IDI1_010454IDI1_019180SMR0000658703-[(4-methoxyphenyl)sulfamoyl]benzoicacid3-[(4-methoxyanilino)sulfonyl]benzoic acidCS-0218170
Database identifiers
- CAS
147410-81-9- PubChem CID
- 766535
- ChEMBL
CHEMBL1341387- EC Number
- 154-880-7
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Boiling point
- 533.1 · 533.1±60.0 °C(Predicted)
- Density
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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