3-[[2-(3-Chlorophenoxy)acetyl]amino]-4-methoxybenzenesulfonyl fluoride
Basic information
- CAS
21456-15-5- Standard SMILES
COc1ccc(S(=O)(=O)F)cc1NC(=O)COc1cccc(Cl)c1- InChIKey
BFYHTATVABGCOU-UHFFFAOYSA-N- Molecular formula
- C15H13ClFNO5S
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 373.0186995
Names & identifiers
- Preferred name
- 3-[[2-(3-Chlorophenoxy)acetyl]amino]-4-methoxybenzenesulfonyl fluoride
- IUPAC
- 3-[[2-(3-chlorophenoxy)acetyl]amino]-4-methoxybenzenesulfonyl fluoride
Names & synonyms
21456-15-5NSC2118083-[[2-(3-chlorophenoxy)acetyl]amino]-4-methoxybenzenesulfonyl fluorideDTXSID50309338NSC-2118083-[2-(3-Chlorophenoxy)acetamido]-4-methoxybenzene-1-sulfonyl fluoride
Database identifiers
- CAS
21456-15-5- PubChem CID
- 309516
- DTXSID
DTXSID50309338
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 526
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Compound notes
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