Basic information
- CAS
77516-53-1- Standard SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCCCC1- InChIKey
MLDBPBAIRZLOJF-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4S
- Average molar mass
- 284.33 g/mol
- Monoisotopic mass
- 284.08307817
Names & identifiers
- Preferred name
- N-cyclohexyl-2-nitrobenzenesulfonamide
- IUPAC
- N-cyclohexyl-2-nitrobenzenesulfonamide
- English name
- N-cyclohexyl-2-nitrobenzenesulphonamide
- Molecular formula
- C12H16N2O4S
- Molecular weight
- 284.33
Names & synonyms
N-cyclohexyl-2-nitrobenzenesulfonamide77516-53-1MFCD00436909N-cyclohexyl-2-nitrobenzene-1-sulfonamideN-Cyclohexyl-2-nitro-benzenesulfonamideN-Cyclohexyl-2-nitrobenzenesulphonamideEINECS 278-707-0Oprea1_658512SCHEMBL14163384DTXSID20998713STK038938AKOS000488983
Show more names
Benzenesulfonamide, N-cyclohexyl-2-nitro-
SB82285cyclohexyl[(2-nitrophenyl)sulfonyl]amineBS-24523DA-02876ST061160CS-0206203NS00058056I83885
Database identifiers
- CAS
77516-53-1- PubChem CID
- 818656
- DTXSID
DTXSID20998713- EC Number
- 278-707-0
- Nikkaji
- J309.402B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Boiling point
- 451.3 · 451.3±47.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.20(Predicted)
- 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
Suppliers5 total
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]
上海贤鼎生物科技有限公司4009209199 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
2 records
Compound notes
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