Basic information
- CAS
701275-61-8- Standard SMILES
O=C(O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1- InChIKey
PYZGHELWFCMXSN-UHFFFAOYSA-N- Molecular formula
- C14H11N3O5S
- Average molar mass
- 333.32 g/mol
- Monoisotopic mass
- 333.04194163
Names & identifiers
- Preferred name
- 2-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)benzoic acid
- IUPAC
- 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid
- English name
- 2-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)benzoic acid
- Molecular formula
- C14H11N3O5S
- Molecular weight
- 333.32
Names & synonyms
701275-61-82-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)benzoic acidRefChem:454332899-714-02-(2-Oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonylamino)-benzoic acidMFCD039555502-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoic acid2-[[(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)sulfonyl]amino]benzoic acidF1566-09882-(2-OXO-1,3-DIHYDRO-1,3-BENZODIAZOLE-5-SULFONAMIDO)BENZOIC ACIDSMSSF-00414062-(2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-sulfonamido)benzoic acid
Show more names
Benzoic acid, 2-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)sulfonyl]amino]-
AKOS000593644WAY-385269CS-0219643ST50287714EN300-04561AS-871/42707291Z561157292-(2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)benzoicacid
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 588
Physicochemical properties
- Density
- 1.596 · 1.596±0.06 g/cm3(Predicted)
- pka
- 3.26 · 3.26±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
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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