Basic information
- CAS
4479-70-3- Standard SMILES
NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1- InChIKey
OUGLLSMFRGBCIL-UHFFFAOYSA-N- Molecular formula
- C14H10N2O4S
- Average molar mass
- 302.31 g/mol
- Monoisotopic mass
- 302.0361278
Names & identifiers
- Preferred name
- 4-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-benzenesulfonamide
- IUPAC
- 4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
- English name
- 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzene-1-sulfonamide
- Molecular formula
- C14H10N2O4S
- Molecular weight
- 302.3052
Names & synonyms
4-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BENZENESULFONAMIDERefChem:510164684-432-04479-70-3Carbonic anhydrase inhibitor 164-(1,3-Dioxoisoindolin-2-yl)benzenesulfonamide4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzene-1-sulfonamideOprea1_854774CHEMBL520850orb2566679SCHEMBL1548435
Show more names
DTXSID10393910OUGLLSMFRGBCIL-UHFFFAOYSA-NMFCD00229051AKOS003617547HY-163109H54194T860034-(1,3-dioxobenzo[c]azolidin-2-yl)benzenesulfonamide
Database identifiers
- CAS
4479-70-3- PubChem CID
- 3586494
- DTXSID
DTXSID10393910- ChEMBL
CHEMBL520850- EC Number
- 684-432-0
- Nikkaji
- J3.184.731A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 522
Physicochemical properties
- form
- Solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
UsesCarbonic anhydrase inhibitor 16 (compound 1) is a dengue protease inhibitor with inhibitory activity against carbonic anhydrase hCA I and hCA II (Ki: 28.5 nM, 2.2 nM)[1].
Suppliers6 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
12 records
Compound notes
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