1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol

C21H19FO3S — CID 134849164

IUPAC1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19FO3S/c1-21(23,15-26(24,25)20-13-11-19(22)12-14-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14,23H,15H2,1H3
InChIKeyXHZQYUZOSQLYQV-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.17
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol

1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol (PubChem CID 134849164) has the molecular formula C21H19FO3S and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol
PubChem CID134849164
Molecular FormulaC21H19FO3S
Molecular Weight370.45 g/mol
Exact Mass370.10
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19FO3S/c1-21(23,15-26(24,25)20-13-11-19(22)12-14-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14,23H,15H2,1H3
InChIKeyXHZQYUZOSQLYQV-UHFFFAOYSA-N
XLogP4.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol
CID 118212096
(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-1,1,1-trifluoro-2-(4-(phenylsulfonyl)phenyl)propan-2-ol
CID 52944762
Rac-2-(4-(2-tert-butylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52946104
Rac-1,1,1-trifluoro-2-(4-(2-(trifluoromethyl)phenylsulfonyl)phenyl)propan-2-ol
CID 52949732
US9771320, Example 10
CID 118212056
US9771320, Example 125
CID 118220706
1-(Benzylsulfonyl)-2-(4-methylphenyl)-2-propanol
CID 3571091
Rac-1,1,1-trifluoro-2-(4-(2-fluorophenylsulfonyl)phenyl)propan-2-ol
CID 52941220

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol (CID 134849164) is 1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol is CC(O)(CS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol?
The InChIKey is XHZQYUZOSQLYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO3S/c1-21(23,15-26(24,25)20-13-11-19(22)12-14-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14,23H,15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol?
1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol has a molecular weight of 370.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-(4-phenylphenyl)propan-2-ol is sourced from PubChem (CID 134849164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).