Basic information
- CAS
400839-43-2- Standard SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CC1- InChIKey
PLZDNGPITOUOSM-UHFFFAOYSA-N- Molecular formula
- C9H10N2O4S
- Average molar mass
- 242.25 g/mol
- Monoisotopic mass
- 242.03612798
Names & identifiers
- Preferred name
- N-cyclopropyl-2-nitrobenzenesulfonamide
- IUPAC
- N-cyclopropyl-2-nitrobenzenesulfonamide
- English name
- N-Cyclopropyl-2-nitrobenzenesulfonamide
- Molecular formula
- C9H10N2O4S
- Molecular weight
- 242.25
Names & synonyms
N-cyclopropyl-2-nitrobenzenesulfonamide400839-43-2N-cyclopropyl-2-nitrobenzene-1-sulfonamideMFCD00458271Benzenesulfonamide, N-cyclopropyl-2-nitro-N-Cyclopropyl-2-nitro-benzenesulfonamideCBDivE_014668SCHEMBL2821240SCHEMBL30737179DTXSID80355323PLZDNGPITOUOSM-UHFFFAOYSA-NALBB-024151
Show more names
ST5438150ZINC00300796
STK135788AKOS003232339SB77113N-cyclopropyl-2-nitro benzenesulfonamidecyclopropyl[(2-nitrophenyl)sulfonyl]amineLS-07792DB-343862CS-0211923
Database identifiers
- CAS
400839-43-2- PubChem CID
- 796630
- DTXSID
DTXSID80355323
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Boiling point
- 419.2 · 419.2±47.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.20(Predicted)
- CAS DataBase Reference
- 400839 · 400839-43-2
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
13 records
Compound notes
Loading…