1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene

C15H8Cl2F6O2S — CID 2807770

IUPAC1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene
SMILESO=S(=O)(Cc1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8Cl2F6O2S/c16-11-2-1-8(13(17)6-11)7-26(24,25)12-4-9(14(18,19)20)3-10(5-12)15(21,22)23/h1-6H,7H2
InChIKeyAAVZOPDUKLFRPY-UHFFFAOYSA-N
MW437.19 g/mol
LogP6.00
Rot. Bonds3

About 1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene

1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene (PubChem CID 2807770) has the molecular formula C15H8Cl2F6O2S and a molecular weight of 437.19 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene
PubChem CID2807770
Molecular FormulaC15H8Cl2F6O2S
Molecular Weight437.19 g/mol
Exact Mass435.95
IUPAC Name1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene
SMILESO=S(=O)(Cc1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8Cl2F6O2S/c16-11-2-1-8(13(17)6-11)7-26(24,25)12-4-9(14(18,19)20)3-10(5-12)15(21,22)23/h1-6H,7H2
InChIKeyAAVZOPDUKLFRPY-UHFFFAOYSA-N
XLogP6.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.19
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene (CID 2807770) is 1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene is O=S(=O)(Cc1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene?
The InChIKey is AAVZOPDUKLFRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F6O2S/c16-11-2-1-8(13(17)6-11)7-26(24,25)12-4-9(14(18,19)20)3-10(5-12)15(21,22)23/h1-6H,7H2.
What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene?
1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene has a molecular weight of 437.19 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-2,4-dichlorobenzene is sourced from PubChem (CID 2807770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).