3,5-Dinitro-4-(propylamino)benzenesulfonamide
Basic information
- CAS
62409-47-6- Standard SMILES
CCCNc1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]- InChIKey
IOJAESFEVURKSE-UHFFFAOYSA-N- Molecular formula
- C9H12N4O6S
- Average molar mass
- 304.28 g/mol
- Monoisotopic mass
- 304.04775529
Names & identifiers
- Preferred name
- 3,5-Dinitro-4-(propylamino)benzenesulfonamide
- IUPAC
- 3,5-dinitro-4-(propylamino)benzenesulfonamide
Names & synonyms
3,5-dinitro-4-(propylamino)benzenesulfonamide62409-47-6DTXSID20333049RefChem:271979DTXCID00284141Oryzalin metabolite OR-23,5-dinitro-4-(propylamino)benzene-1-sulfonamideCHEMBL310237SCHEMBL275939113,5-Dinitro-4-propylamino-benzenesulfonamideNS00067603
Database identifiers
- CAS
62409-47-6- PubChem CID
- 478792
- DTXSID
DTXSID20333049- ChEMBL
CHEMBL310237- Nikkaji
- J911.229D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 440
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
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Compound notes
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