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

C15H8Cl2F6O2S — CID 2807423

IUPAC2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8Cl2F6O2S/c16-12-2-1-3-13(17)11(12)7-26(24,25)10-5-8(14(18,19)20)4-9(6-10)15(21,22)23/h1-6H,7H2
InChIKeySVFYMBLRMZBBCP-UHFFFAOYSA-N
MW437.19 g/mol
LogP6.00
Rot. Bonds3

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

2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene (PubChem CID 2807423) has the molecular formula C15H8Cl2F6O2S and a molecular weight of 437.19 g/mol. Its IUPAC name is 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene
PubChem CID2807423
Molecular FormulaC15H8Cl2F6O2S
Molecular Weight437.19 g/mol
Exact Mass435.95
IUPAC Name2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8Cl2F6O2S/c16-12-2-1-3-13(17)11(12)7-26(24,25)10-5-8(14(18,19)20)4-9(6-10)15(21,22)23/h1-6H,7H2
InChIKeySVFYMBLRMZBBCP-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 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene?
The IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene (CID 2807423) is 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene.
What is the SMILES notation for 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene?
The canonical SMILES for 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene is O=S(=O)(Cc1c(Cl)cccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene?
The InChIKey is SVFYMBLRMZBBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F6O2S/c16-12-2-1-3-13(17)11(12)7-26(24,25)10-5-8(14(18,19)20)4-9(6-10)15(21,22)23/h1-6H,7H2.
What are the key properties of 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene?
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-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 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene is sourced from PubChem (CID 2807423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).