Basic information
- CAS
603118-18-9- Standard SMILES
O=C(O)c1cccc(S(=O)(=O)NCc2ccco2)c1- InChIKey
WGFFBVJRQFLJBY-UHFFFAOYSA-N- Molecular formula
- C12H11NO5S
- Average molar mass
- 281.29 g/mol
- Monoisotopic mass
- 281.03579362
Names & identifiers
- Preferred name
- 3-(((Furan-2-yl)methyl)sulfamoyl)benzoic acid
- IUPAC
- 3-(furan-2-ylmethylsulfamoyl)benzoic acid
- English name
- 3-[[(2-FURYLMETHYL)AMINO]SULFONYL]BENZOIC ACID
- Molecular formula
- C12H11NO5S
- Molecular weight
- 281.28
Names & synonyms
3-{[(furan-2-yl)methyl]sulfamoyl}benzoic acid3-[[(2-Furanylmethyl)amino]sulfonyl]benzoic acid3-(((Furan-2-yl)methyl)sulfamoyl)benzoic acid3-(((2-Furanylmethyl)amino)sulfonyl)benzoic acidRefChem:487976999-719-9603118-18-93-{[(2-furylmethyl)amino]sulfonyl}benzoic acid3-[(furan-2-ylmethyl)sulfamoyl]benzoic acid3-(N-(Furan-2-ylmethyl)sulfamoyl)benzoic acidMFCD042013353-[[(2-furylmethyl)amino]sulfonyl]benzoic acid
Show more names
3-[[(Furan-2-ylmethyl)amino]sulfonyl]benzoic acidBenzoic acid, 3-[[(2-furanylmethyl)amino]sulfonyl]-
3-(furan-2-ylmethylsulfamoyl)benzoic acid3-([(2-Furylmethyl)amino]sulfonyl)benzoic acidCBKinase1_007396CBKinase1_019796SCHEMBL13260611DTXSID901240218STK807459AKOS000264040
Database identifiers
- CAS
603118-18-9- PubChem CID
- 972732
- DTXSID
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 514.5 · 514.5±60.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- pka
- 3.66 · 3.66±0.10(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
Suppliers5 total
台州南峰药物研究所[email protected] 18616377689 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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