4-[(2-fluorophenyl)sulfonylamino]benzoic Acid
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Basic information
- CAS
612041-67-5- Standard SMILES
O=C(O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1- InChIKey
HADUKEXPXYPMIY-UHFFFAOYSA-N- Molecular formula
- C13H10FNO4S
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.03145714
Names & identifiers
- Preferred name
- 4-[(2-fluorophenyl)sulfonylamino]benzoic Acid
- IUPAC
- 4-[(2-fluorophenyl)sulfonylamino]benzoic acid
- English name
- 4-([(2-FLUOROPHENYL)SULFONYL]AMINO)BENZOIC ACID
- Molecular formula
- C13H10FNO4S
- Molecular weight
- 295.29
Names & synonyms
612041-67-54-((2-fluorophenyl)sulfonamido)benzoic acid4-[(2-fluorophenyl)sulfonylamino]benzoic Acid4-([(2-FLUOROPHENYL)SULFONYL]AMINO)BENZOIC ACID4-(2-fluorobenzenesulfonamido)benzoic acid4-{[(2-fluorophenyl)sulfonyl]amino}benzoic acid4-[[(2-Fluorophenyl)sulfonyl]amino]benzoic acidSCHEMBL5330069DTXSID101240676MZA04167AKOS000126612ST50134357
Show more names
BENZOIC ACID, 4-[[(2-FLUOROPHENYL)SULFONYL]AMINO]-
EN300-235709F4946724-[(2-Fluorobenzene-1-sulfonyl)amino]benzoic acidZ455123094-([(2-FLUOROPHENYL)SULFONYL]AMINO)BENZOICACIDF1408-0380
Database identifiers
- CAS
612041-67-5- PubChem CID
- 697891
- DTXSID
DTXSID101240676
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Boiling point
- 488.4 · 488.4±55.0 °C(Predicted)
- Density
- 1.512 · 1.512±0.06 g/cm3(Predicted)
- pka
- 4.01 · 4.01±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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-((2-Fluorophenyl)sulfonamido)benzoic Acid is a useful reagent in the preparation of (phenylsulfonamido)benzoic acids derivatives that exhibits antifungal and antibacterial activities.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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