Basic information
- CAS
63134-11-2- Standard SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
CYHLPVVJEOQZPC-UHFFFAOYSA-N- Molecular formula
- C22H37ClN2O4S
- Average molar mass
- 461.1 g/mol
- Monoisotopic mass
- 460.2162565
Names & identifiers
- Preferred name
- 1-Hexadecanesulfonamide, N-(4-chloro-3-nitrophenyl)-
- IUPAC
- N-(4-chloro-3-nitrophenyl)hexadecane-1-sulfonamide
- English name
- N-(4-Chloro-3-nitrophenyl)-1-hexadecanesulfonamide
- Molecular formula
- C22H37ClN2O4S
- Molecular weight
- 461.06
Names & synonyms
1-Hexadecanesulfonamide, N-(4-chloro-3-nitrophenyl)-63134-11-2DTXSID8069698RefChem:432959DTXCID1043679n-(4-chloro-3-nitrophenyl)hexadecane-1-sulfonamideN-(4-Chloro-3-nitrophenyl)-1-hexadecanesulfonamideSCHEMBL114915862-chloro-5-hexadecanesulfonamidonitrobenzeneDB-308629
Database identifiers
- CAS
63134-11-2- PubChem CID
- 113045
- DTXSID
DTXSID8069698- Nikkaji
- J30.794G
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 548
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Hexadecanesulfonamide, N-(4-chloro-3-nitrophenyl)- (63134-11-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexadecanesulfonamide, N-(4-chloro-3-nitrophenyl)-: INACTIVE
Related reactions
1 records
Compound notes
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