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Basic information
- CAS
111855-65-3- Standard SMILES
O=C(O)CCCCCCCCCCNS(=O)(=O)c1ccc(Cl)cc1C(=O)c1ccccc1- InChIKey
QPBVNXQLWDMODP-UHFFFAOYSA-N- Molecular formula
- C24H30ClNO5S
- Average molar mass
- 480 g/mol
- Monoisotopic mass
- 479.15332174
Names & identifiers
- Preferred name
- Undecanoic acid, 11-(((2-benzoyl-4-chlorophenyl)sulfonyl)amino)-
- IUPAC
- 11-[(2-benzoyl-4-chlorophenyl)sulfonylamino]undecanoic acid
Names & synonyms
11-(2-Benzoyl-4-chlorobenzenesulphonamido)undecanoic acidUndecanoic acid, 11-(((2-benzoyl-4-chlorophenyl)sulfonyl)amino)-111855-65-311-(((2-Benzoyl-4-chlorophenyl)sulfonyl)amino)undecanoic acidDTXSID90149750RefChem:386889DTXCID8072241SCHEMBL10334183QPBVNXQLWDMODP-UHFFFAOYSA-N11-(2-Benzoyl-4-chlorobenzene-1-sulfonamido)undecanoic acid
Database identifiers
- CAS
111855-65-3- PubChem CID
- 3086745
- DTXSID
DTXSID90149750
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 672
Related reactions
2 records
Compound notes
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