3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one

C21H17FO3S — CID 3429515

IUPAC3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17FO3S/c22-19-10-12-20(13-11-19)26(24,25)15-14-21(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKeyYEKDJDHVNPATSX-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.54
Rot. Bonds6

About 3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one

3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one (PubChem CID 3429515) has the molecular formula C21H17FO3S and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one
PubChem CID3429515
Molecular FormulaC21H17FO3S
Molecular Weight368.43 g/mol
Exact Mass368.09
IUPAC Name3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17FO3S/c22-19-10-12-20(13-11-19)26(24,25)15-14-21(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKeyYEKDJDHVNPATSX-UHFFFAOYSA-N
XLogP4.54
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one (CID 3429515) is 3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one is O=C(CCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one?
The InChIKey is YEKDJDHVNPATSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FO3S/c22-19-10-12-20(13-11-19)26(24,25)15-14-21(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13H,14-15H2.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one?
3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one has a molecular weight of 368.43 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 3429515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).