Butanoic acid, 4-(((4-chloro-2-(2-chlorobenzoyl)phenyl)sulfonyl)amino)-
Basic information
- CAS
111871-66-0- Standard SMILES
O=C(O)CCCNS(=O)(=O)c1ccc(Cl)cc1C(=O)c1ccccc1Cl- InChIKey
ITXVYBSIJRTOSD-UHFFFAOYSA-N- Molecular formula
- C17H15Cl2NO5S
- Average molar mass
- 416.3 g/mol
- Monoisotopic mass
- 415.0047991
Names & identifiers
- Preferred name
- Butanoic acid, 4-(((4-chloro-2-(2-chlorobenzoyl)phenyl)sulfonyl)amino)-
- IUPAC
- 4-[[4-chloro-2-(2-chlorobenzoyl)phenyl]sulfonylamino]butanoic acid
Names & synonyms
Butanoic acid, 4-(((4-chloro-2-(2-chlorobenzoyl)phenyl)sulfonyl)amino)-4-(((4-Chloro-2-(2-chlorobenzoyl)phenyl)sulfonyl)amino)butanoic acid111871-66-0DTXSID50149756RefChem:330793DTXCID80722474-[4-Chloro-2-(2-chlorobenzoyl)benzene-1-sulfonamido]butanoic acid
Database identifiers
- CAS
111871-66-0- PubChem CID
- 3086750
- DTXSID
DTXSID50149756
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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