3-Methyl-4-[(4-nitrophenyl)methylcarbamoylamino]benzenesulfonyl fluoride
Basic information
- CAS
21322-81-6- Standard SMILES
Cc1cc(S(=O)(=O)F)ccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1- InChIKey
MNTOLWHQWRLUGA-UHFFFAOYSA-N- Molecular formula
- C15H14FN3O5S
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.06381989
Names & identifiers
- Preferred name
- 3-Methyl-4-[(4-nitrophenyl)methylcarbamoylamino]benzenesulfonyl fluoride
- IUPAC
- 3-methyl-4-[(4-nitrophenyl)methylcarbamoylamino]benzenesulfonyl fluoride
Names & synonyms
21322-81-6NSC2111023-methyl-4-[(4-nitrophenyl)methylcarbamoylamino]benzenesulfonyl fluorideDTXSID30309093NSC-2111023-Methyl-4-({[(4-nitrophenyl)methyl]carbamoyl}amino)benzene-1-sulfonyl fluoride
Database identifiers
- CAS
21322-81-6- PubChem CID
- 308968
- DTXSID
DTXSID30309093
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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