1-(4-fluorophenyl)sulfonyl-4-phenylbenzene

C18H13FO2S — CID 679731

IUPAC1-(4-fluorophenyl)sulfonyl-4-phenylbenzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H13FO2S/c19-16-8-12-18(13-9-16)22(20,21)17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-13H
InChIKeyREOIMNCJSXYMPK-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.33
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-4-phenylbenzene

1-(4-fluorophenyl)sulfonyl-4-phenylbenzene (PubChem CID 679731) has the molecular formula C18H13FO2S and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-phenylbenzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-phenylbenzene
PubChem CID679731
Molecular FormulaC18H13FO2S
Molecular Weight312.37 g/mol
Exact Mass312.06
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-phenylbenzene
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H13FO2S/c19-16-8-12-18(13-9-16)22(20,21)17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-13H
InChIKeyREOIMNCJSXYMPK-UHFFFAOYSA-N
XLogP4.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-phenylbenzene?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-phenylbenzene (CID 679731) is 1-(4-fluorophenyl)sulfonyl-4-phenylbenzene.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-phenylbenzene?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-phenylbenzene is O=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-phenylbenzene?
The InChIKey is REOIMNCJSXYMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO2S/c19-16-8-12-18(13-9-16)22(20,21)17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-13H.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-phenylbenzene?
1-(4-fluorophenyl)sulfonyl-4-phenylbenzene has a molecular weight of 312.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-phenylbenzene is sourced from PubChem (CID 679731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).