Basic information
- CAS
89840-67-5- Standard SMILES
CCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
WUOCQJDBLLNLPF-UHFFFAOYSA-N- Molecular formula
- C12H18N2O4S
- Average molar mass
- 286.35 g/mol
- Monoisotopic mass
- 286.09872823
Names & identifiers
- Preferred name
- N-hexyl-2-nitrobenzenesulfonamide
- IUPAC
- N-hexyl-2-nitrobenzenesulfonamide
- English name
- N-hexyl-2-nitrobenzenesulfonamide
- Molecular formula
- C12H18N2O4S
- Molecular weight
- 286.35
Names & synonyms
N-hexyl-2-nitrobenzenesulfonamide89840-67-5N-hexyl-2-nitrobenzene-1-sulfonamideCHEMBL192376Benzenesulfonamide, N-hexyl-2-nitro-CBDivE_014618DTXSID20385487N-Hexyl-2-nitro-benzenesulfonamidehexyl[(2-nitrophenyl)sulfonyl]amineBDBM50164220STK036352AKOS002935813
Show more names
ST010984SR-01000200584SR-01000200584-1
Database identifiers
- CAS
89840-67-5- PubChem CID
- 2836767
- DTXSID
DTXSID20385487- ChEMBL
CHEMBL192376- EC Number
- 104-804-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 372
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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