Basic information
- CAS
21316-07-4- Standard SMILES
Nc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1- InChIKey
PLLFJKRKTXPWRV-UHFFFAOYSA-N- Molecular formula
- C14H14FN3O3S
- Average molar mass
- 323.34 g/mol
- Monoisotopic mass
- 323.07399065
Names & identifiers
- Preferred name
- 4-({[(4-Aminophenyl)methyl]carbamoyl}amino)benzene-1-sulfonyl fluoride
- IUPAC
- 4-[(4-aminophenyl)methylcarbamoylamino]benzenesulfonyl fluoride
Names & synonyms
21316-07-44-(3-(4-Aminobenzyl)ureido)benzene-1-sulfonyl fluorideNSC122135starbld0019457DTXSID302982764-({[(4-Aminophenyl)methyl]carbamoyl}amino)benzene-1-sulfonyl fluorideNSC-122135
Database identifiers
- CAS
21316-07-4- PubChem CID
- 275367
- DTXSID
DTXSID30298276
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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