4-({[3-(2-Chloro-4-nitrophenoxy)propyl]carbamoyl}amino)-2-methylbenzenesulfonyl fluoride
Basic information
- CAS
25313-30-8- Standard SMILES
Cc1cc(NC(=O)NCCCOc2ccc([N+](=O)[O-])cc2Cl)ccc1S(=O)(=O)F- InChIKey
DVYDHWVHNLMAES-UHFFFAOYSA-N- Molecular formula
- C17H17ClFN3O6S
- Average molar mass
- 445.9 g/mol
- Monoisotopic mass
- 445.0510623
Names & identifiers
- Preferred name
- 4-({[3-(2-Chloro-4-nitrophenoxy)propyl]carbamoyl}amino)-2-methylbenzenesulfonyl fluoride
- IUPAC
- 4-[3-(2-chloro-4-nitrophenoxy)propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride
Names & synonyms
25313-30-84-(3-(3-(2-Chloro-4-nitrophenoxy)propyl)ureido)-2-methylbenzene-1-sulfonyl fluorideNSC1320984-({[3-(2-chloro-4-nitrophenoxy)propyl]carbamoyl}amino)-2-methylbenzenesulfonyl fluoridestarbld0019505DTXSID50299689NSC-1320984-({[3-(2-Chloro-4-nitrophenoxy)propyl]carbamoyl}amino)-2-methylbenzene-1-sulfonyl fluoride
Database identifiers
- CAS
25313-30-8- PubChem CID
- 280456
- DTXSID
DTXSID50299689
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 671
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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