Basic information
- CAS
21315-98-0- Standard SMILES
O=C(NCc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)F)c1- InChIKey
YRKRZQSEVHDLPG-UHFFFAOYSA-N- Molecular formula
- C14H12FN3O5S
- Average molar mass
- 353.33 g/mol
- Monoisotopic mass
- 353.04816983
Names & identifiers
- Preferred name
- 3-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluoride
- IUPAC
- 3-[(4-nitrophenyl)methylcarbamoylamino]benzenesulfonyl fluoride
Names & synonyms
21315-98-03-(3-(4-Nitrobenzyl)ureido)benzene-1-sulfonyl fluorideNSC122134starbld0019092DTXSID90943831NSC-122134SB83625N-[3-(Fluorosulfonyl)phenyl]-N'-[(4-nitrophenyl)methyl]carbamimidic acid
Database identifiers
- CAS
21315-98-0- PubChem CID
- 275366
- DTXSID
DTXSID90943831
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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