4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride
Basic information
- CAS
21322-46-3- Standard SMILES
CN(Cc1ccc(N)cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1- InChIKey
VVLGODVPTXTRRH-UHFFFAOYSA-N- Molecular formula
- C15H16FN3O3S
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.08964072
Names & identifiers
- Preferred name
- 4-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluoride
- IUPAC
- 4-[[(4-aminophenyl)methyl-methylcarbamoyl]amino]benzenesulfonyl fluoride
Names & synonyms
21322-46-34-(3-(4-Aminobenzyl)-3-methylureido)benzene-1-sulfonyl fluorideNSC211153starbld0019458DTXSID50309111NSC-211153SB832644-({[(4-Aminophenyl)methyl](methyl)carbamoyl}amino)benzene-1-sulfonyl fluoride
Database identifiers
- CAS
21322-46-3- PubChem CID
- 309012
- DTXSID
DTXSID50309111
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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