3-[Methyl(phenyl)sulfamoyl]benzoic acid
Basic information
- CAS
325721-26-4- Standard SMILES
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1- InChIKey
IGPBIKWXWPLGGT-UHFFFAOYSA-N- Molecular formula
- C14H13NO4S
- Average molar mass
- 291.32 g/mol
- Monoisotopic mass
- 291.05652907
Names & identifiers
- Preferred name
- 3-[Methyl(phenyl)sulfamoyl]benzoic acid
- IUPAC
- 3-[methyl(phenyl)sulfamoyl]benzoic acid
- English name
- 3-[(methylanilino)sulfonyl]benzoic acid
- Molecular formula
- C14H13NO4S
- Molecular weight
- 291.32
Names & synonyms
3-[methyl(phenyl)sulfamoyl]benzoic acid325721-26-43-(methyl(phenyl)sulfamoyl)benzoic acidRefChem:495478874-068-23-(Methyl-phenyl-sulfamoyl)-benzoic acid3-[(methylanilino)sulfonyl]benzoic acidOprea1_051765Oprea1_067066AP-866/40876193ANA72126MFCD02711507
Show more names
Benzoic acid, 3-[(methylphenylamino)sulfonyl]-
3-[methyl(phenyl)sulfamoyl]benzoicacidAKOS000115042SY1374933-(N-Methyl-N-phenylsulfamoyl)benzoic AcidCS-0218290EN300-00526G31536SR-01000269160
Database identifiers
- CAS
325721-26-4- PubChem CID
- 975146
- EC Number
- 874-068-2
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Boiling point
- 496 · 496.0±47.0 °C(Predicted)
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- pka
- 3.66 · 3.66±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
- H315-H335-H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
0 records
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Compound notes
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