Basic information
- Standard SMILES
CCCN(CCC)C(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Cl)c1- InChIKey
ABUGUQRMPLJMQD-UHFFFAOYSA-N- Molecular formula
- C15H20ClNO5S
- Average molar mass
- 361.8 g/mol
- Monoisotopic mass
- 361.0750716
Names & identifiers
- Preferred name
- Methyl 3-(chlorosulfonyl)-5-[(dipropylamino)carbonyl]-Benzoate
- IUPAC
- methyl 3-chlorosulfonyl-5-(dipropylcarbamoyl)benzoate
Names & synonyms
SCHEMBL27574884ABUGUQRMPLJMQD-UHFFFAOYSA-NMethyl 3-(chlorosulfonyl)-5-[(dipropylamino)carbonyl]-BenzoateMethyl 3-(chlorosulfonyl)-5-[(dipropylamino)carbonyl]- benzoate
Database identifiers
- PubChem CID
- 22593631
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 510
Related reactions
14 records
Linked notes
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