1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene

C24H16F2O4S2 — CID 2274355

IUPAC1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H16F2O4S2/c25-19-5-13-23(14-6-19)31(27,28)21-9-1-17(2-10-21)18-3-11-22(12-4-18)32(29,30)24-15-7-20(26)8-16-24/h1-16H
InChIKeyNDTOCQNXMGILGR-UHFFFAOYSA-N
MW470.52 g/mol
LogP5.30
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene

1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene (PubChem CID 2274355) has the molecular formula C24H16F2O4S2 and a molecular weight of 470.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene
PubChem CID2274355
Molecular FormulaC24H16F2O4S2
Molecular Weight470.52 g/mol
Exact Mass470.05
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H16F2O4S2/c25-19-5-13-23(14-6-19)31(27,28)21-9-1-17(2-10-21)18-3-11-22(12-4-18)32(29,30)24-15-7-20(26)8-16-24/h1-16H
InChIKeyNDTOCQNXMGILGR-UHFFFAOYSA-N
XLogP5.30
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene (CID 2274355) is 1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene is O=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene?
The InChIKey is NDTOCQNXMGILGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2O4S2/c25-19-5-13-23(14-6-19)31(27,28)21-9-1-17(2-10-21)18-3-11-22(12-4-18)32(29,30)24-15-7-20(26)8-16-24/h1-16H.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene?
1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene has a molecular weight of 470.52 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-[4-(4-fluorophenyl)sulfonylphenyl]benzene is sourced from PubChem (CID 2274355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).