Basic information
- CAS
3861-99-2- Standard SMILES
NS(=O)(=O)c1cc2c(cc1Cl)C(=O)NC2=O- InChIKey
BSWMHSXPIVWLJR-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2O4S
- Average molar mass
- 260.65 g/mol
- Monoisotopic mass
- 259.96585532
Names & identifiers
- Preferred name
- 4-(Aminosulfonyl)-5-chlorophthalimide
- IUPAC
- 6-chloro-1,3-dioxoisoindole-5-sulfonamide
- English name
- 4-(AMINOSULFONYL)-5-CHLOROPHTHALIMIDE
- Molecular formula
- C8H5ClN2O4S
- Molecular weight
- 260.65
Names & synonyms
3861-99-24-(Aminosulfonyl)-5-chlorophthalimide4-Chloro-5-sulfamoylphthalimide6-chloro-1,3-dioxoisoindole-5-sulfonamide6-Chloro-1,3-dioxo-5-isoindolinesulfonamide6-Chloro-1,3-dioxoisoindoline-5-sulfonamide5-ISOINDOLINESULFONAMIDE, 6-CHLORO-1,3-DIOXO-MFCD000386956-Chloro-1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonamide1H-Isoindole-5-sulfonamide, 6-chloro-2,3-dihydro-1,3-dioxo-BRN 04163814-Chloro-5-sulphamoylphthalimide
Show more names
TIMTEC-BB SBB0080516-chloro-1,3-dioxo-isoindole-5-sulfonamide6-chloro-1,3-dioxo-5-isoindolinesulfonamid6-chloro-1,3-diketo-isoindoline-5-sulfonamide6-chloro-2,3-dihydro-1,3-dioxo-1h-isoindole-5-sulfonamid
EINECS 223-379-66-chloro-1,3-dioxo-2H-benzo[c]azoline-5-sulfonamide6-Chloro-1,3-dioxo-5-isoindolinesulfonamide; 6-Chloro-2,3-dihydro-1,3-dioxo-1H-isoindole-5-sulfonamide6-Chloro-2,3-dihydro-1,3-dioxo-1H-isoindole-5-sulphonamide4-chloro-5sulfamoylphthalimideSCHEMBL10498375DTXSID50191932SBB008051
Database identifiers
- CAS
3861-99-2- PubChem CID
- 19733
- DTXSID
DTXSID50191932- EC Number
- 223-379-6
- Nikkaji
- J68.788J
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Melting point
- 290 °C · 290 °C(Solv: benzene (71-43-2))
- Boiling point
- 78 °C · 78°C (rough estimate)
- Density
- 1.6883 · 1.6883 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- pka
- 8.21 · 8.21±0.20(Predicted)
- form
- Solid
- color
- Tan
Chemistry & industry
Applications
Uses4-Chloro-5-sulfamoylphthalimide is an intermediate in the synthesis of Chlorexolone (C327080), a sulfonamide based antibiotic.
Suppliers4 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Related reactions
24 records
Compound notes
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