Basic information
- CAS
220510-17-8- Standard SMILES
O=C1Nc2ccc(S(=O)(=O)N3CCCC3)cc2C1=O- InChIKey
QKCWUYHXHMXOLG-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4S
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.05177786
Names & identifiers
- Preferred name
- 5-(Pyrrolidin-1-ylsulfonyl)indoline-2,3-dione
- IUPAC
- 5-pyrrolidin-1-ylsulfonyl-1H-indole-2,3-dione
- English name
- 5-(Pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
- Molecular formula
- C12H12N2O4S
- Molecular weight
- 280.3
Names & synonyms
220510-17-85-(pyrrolidin-1-ylsulfonyl)indoline-2,3-dione5-(Pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione5-pyrrolidin-1-ylsulfonyl-1H-indole-2,3-dioneMFCD029399155-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2,3-dione5-(1-Pyrrolidinylsulfonyl)-1H-indole-2,3-dione1H-Indole-2,3-dione, 5-(1-pyrrolidinylsulfonyl)-Isatin Sulfonamide 205-pyrrolidinylsulfonylisatinCHEMBL305545H446JCN86R
Show more names
SCHEMBL2486952SCHEMBL31395806BDBM10309DTXSID80399500QKCWUYHXHMXOLG-UHFFFAOYSA-N5-[1-(pyrrolidinyl)sulfonyl]isatinSB35501DA-38826
Database identifiers
- CAS
220510-17-8- PubChem CID
- 4117381
- DTXSID
DTXSID80399500- ChEMBL
CHEMBL305545- UNII
- H446JCN86R
- Nikkaji
- J1.319.411D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- Melting point
- 240.8 · 240.8-241.5 °C
- Density
- 1.513 · 1.513±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 8.79 · 8.79±0.20(Predicted)
- Appearance
- Yellow to brown Solid
- 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
Upstream & downstream products
Upstream raw materials
Suppliers10 total
上海爱孜康医药研究有限公司18721109360 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
上海智乾生物科技有限公司[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海松帆医药科技有限公司17321241880 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
4 records
Compound notes
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