Basic information
- CAS
100078-25-9- Standard SMILES
COc1ccc(C(=O)CCCCCl)cc1S(N)(=O)=O- InChIKey
XEWDUSAOACYRLP-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO4S
- Average molar mass
- 305.78 g/mol
- Monoisotopic mass
- 305.0488569
Names & identifiers
- Preferred name
- 5-(5-Chloropentanoyl)-2-methoxybenzenesulfonamide
- IUPAC
- 5-(5-chloropentanoyl)-2-methoxybenzenesulfonamide
Names & synonyms
100078-25-95-(5-Chloropentanoyl)-2-methoxybenzenesulfonamideBenzenesulfonamide, 5-(5-chloro-1-oxopentyl)-2-methoxy-SCHEMBL4851627DTXSID70619461XEWDUSAOACYRLP-UHFFFAOYSA-N5-(5-chlorovaleryl)-2-methoxy-benzenesulfonamide5-(5-Chloropentanoyl)-2-methoxybenzene-1-sulfonamide
Database identifiers
- CAS
100078-25-9- PubChem CID
- 21886980
- DTXSID
DTXSID70619461
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Related reactions
5 records
Compound notes
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