4-(3-(4-Aminophenyl)propanamido)-2-methylbenzene-1-sulfonyl fluoride
Basic information
- CAS
28321-29-1- Standard SMILES
Cc1cc(NC(=O)CCc2ccc(N)cc2)ccc1S(=O)(=O)F- InChIKey
RUZHISQRSKSARY-UHFFFAOYSA-N- Molecular formula
- C16H17FN2O3S
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.09439174
Names & identifiers
- Preferred name
- 4-(3-(4-Aminophenyl)propanamido)-2-methylbenzene-1-sulfonyl fluoride
- IUPAC
- 4-[3-(4-aminophenyl)propanoylamino]-2-methylbenzenesulfonyl fluoride
Names & synonyms
28321-29-14-(3-(4-Aminophenyl)propanamido)-2-methylbenzene-1-sulfonyl fluoride4-[3-(4-Aminophenyl)propanamido]-2-methylbenzene-1-sulfonyl fluorideNSC211108starbld0019473DTXSID50309095NSC-211108SB83392
Database identifiers
- CAS
28321-29-1- PubChem CID
- 308974
- DTXSID
DTXSID50309095
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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