[2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone

C26H16F2O4S — CID 100925923

IUPAC[2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(F)ccc1S(=O)(=O)c1ccc(F)cc1C(=O)c1ccccc1
InChIInChI=1S/C26H16F2O4S/c27-19-11-13-23(21(15-19)25(29)17-7-3-1-4-8-17)33(31,32)24-14-12-20(28)16-22(24)26(30)18-9-5-2-6-10-18/h1-16H
InChIKeyRZAUBGIOFCPACV-UHFFFAOYSA-N
MW462.47 g/mol
LogP5.26
Rot. Bonds6

About [2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone

[2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone (PubChem CID 100925923) has the molecular formula C26H16F2O4S and a molecular weight of 462.47 g/mol. Its IUPAC name is [2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone
PubChem CID100925923
Molecular FormulaC26H16F2O4S
Molecular Weight462.47 g/mol
Exact Mass462.07
IUPAC Name[2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(F)ccc1S(=O)(=O)c1ccc(F)cc1C(=O)c1ccccc1
InChIInChI=1S/C26H16F2O4S/c27-19-11-13-23(21(15-19)25(29)17-7-3-1-4-8-17)33(31,32)24-14-12-20(28)16-22(24)26(30)18-9-5-2-6-10-18/h1-16H
InChIKeyRZAUBGIOFCPACV-UHFFFAOYSA-N
XLogP5.26
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.47
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone?
The IUPAC name of [2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone (CID 100925923) is [2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone.
What is the SMILES notation for [2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone?
The canonical SMILES for [2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone is O=C(c1ccccc1)c1cc(F)ccc1S(=O)(=O)c1ccc(F)cc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone?
The InChIKey is RZAUBGIOFCPACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F2O4S/c27-19-11-13-23(21(15-19)25(29)17-7-3-1-4-8-17)33(31,32)24-14-12-20(28)16-22(24)26(30)18-9-5-2-6-10-18/h1-16H.
What are the key properties of [2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone?
[2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone has a molecular weight of 462.47 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoyl-4-fluorophenyl)sulfonyl-5-fluorophenyl]-phenylmethanone is sourced from PubChem (CID 100925923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).