Basic information
- CAS
51012-30-7- Standard SMILES
O=C(O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1- InChIKey
YPVRMONLTQLVQE-UHFFFAOYSA-N- Molecular formula
- C13H10FNO4S
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.03145714
Names & identifiers
- Preferred name
- Benzoic acid, 2-(((4-fluorophenyl)sulfonyl)amino)-
- IUPAC
- 2-[(4-fluorophenyl)sulfonylamino]benzoic acid
- English name
- 2-(((4-fluorophenyl)sulfonyl)amino)-benzoicaci
- Molecular formula
- C13H10FNO4S
- Molecular weight
- 295.29
Names & synonyms
BENZOIC ACID, 2-(((4-FLUOROPHENYL)SULFONYL)AMINO)-BRN 23903632-{[(4-fluorophenyl)sulfonyl]amino}benzoic acid2-(((4-Fluorophenyl)sulfonyl)amino)benzoic acidDTXSID901990182-[[(4-Fluorophenyl)sulfonyl]amino]benzoic acidRefChem:326588DTXCID2012150951012-30-72-(4-Fluorophenylsulfonamido)benzoic acid2-(4-Fluoro-benzenesulfonylamino)-benzoic acid2-[(4-fluorophenyl)sulfonylamino]benzoic acid
Show more names
Benzoic acid, 2-[[(4-fluorophenyl)sulfonyl]amino]-
2-(4-fluorobenzenesulfonamido)benzoic acid2-(((4-fluorophenyl)sulfonyl)amino)-benzoicaciMFCD00114880CHEMBL3250338SCHEMBL27770303AKOS000114689SB825962-(4-Fluorophenylsulfonamido)benzoicacid
Database identifiers
- CAS
51012-30-7- PubChem CID
- 39853
- DTXSID
DTXSID90199018- ChEMBL
CHEMBL3250338- EC Number
- 986-214-3
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 472.4 · 472.4±55.0 °C(Predicted)
- Density
- 1.512 · 1.512±0.06 g/cm3(Predicted)
- pka
- 3.27 · 3.27±0.36(Predicted)
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%)
Chemistry & industry
Suppliers4 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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