3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one

C26H26FNO4S2 — CID 167542891

IUPAC3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one
SMILESO=C(CC(CCO)c1ccc(F)cc1)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H26FNO4S2/c27-23-10-6-21(7-11-23)22(14-16-29)18-25(30)26-28(15-17-33-26)34(31,32)24-12-8-20(9-13-24)19-4-2-1-3-5-19/h1-13,22,26,29H,14-18H2
InChIKeyBKNSWWGLZVKEHK-UHFFFAOYSA-N
MW499.63 g/mol
LogP4.68
Rot. Bonds9

About 3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one

3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one (PubChem CID 167542891) has the molecular formula C26H26FNO4S2 and a molecular weight of 499.63 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one
PubChem CID167542891
Molecular FormulaC26H26FNO4S2
Molecular Weight499.63 g/mol
Exact Mass499.13
IUPAC Name3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one
SMILESO=C(CC(CCO)c1ccc(F)cc1)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H26FNO4S2/c27-23-10-6-21(7-11-23)22(14-16-29)18-25(30)26-28(15-17-33-26)34(31,32)24-12-8-20(9-13-24)19-4-2-1-3-5-19/h1-13,22,26,29H,14-18H2
InChIKeyBKNSWWGLZVKEHK-UHFFFAOYSA-N
XLogP4.68
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(1S)-1-(4-fluorophenyl)-3-hydroxypropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10217804
3-phenyl-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]-5-piperidin-1-ylpentan-1-one
CID 167553183
4-O-tert-butyl 1-O-[(3R)-3-(4-fluorophenyl)-5-oxo-5-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentyl] (2S)-2-propan-2-ylbutanedioate
CID 158646794
4-O-tert-butyl 1-O-[(3R)-3-(4-fluorophenyl)-5-oxo-5-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentyl] (2S)-2-propan-2-ylbutanedioate;[(3R)-3-(4-fluorophenyl)-5-oxo-5-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentyl] (2S)-2-amino-3-methylbutanoate;methanesulfonic acid
CID 157224710
4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide
CID 167544763
N-[3-chloro-1-(4-fluorophenyl)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 155601125
N-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 68622983
(2S)-N-[(1S)-1-(2,4-difluorophenyl)-3-hydroxypropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10289374
1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone
CID 146615097
(2S)-3-[4-(2-fluorophenyl)phenyl]sulfonyl-N-[(1S)-3-hydroxy-1-phenylpropyl]-1,3-thiazolidine-2-carboxamide
CID 10289129
[(3S)-3-(4-fluorophenyl)-3-[[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]propyl] 2-amino-3-methylbutanoate
CID 170274058
N-[1-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 68622008

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one (CID 167542891) is 3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one is O=C(CC(CCO)c1ccc(F)cc1)C1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one?
The InChIKey is BKNSWWGLZVKEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO4S2/c27-23-10-6-21(7-11-23)22(14-16-29)18-25(30)26-28(15-17-33-26)34(31,32)24-12-8-20(9-13-24)19-4-2-1-3-5-19/h1-13,22,26,29H,14-18H2.
What are the key properties of 3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one?
3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one has a molecular weight of 499.63 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one is sourced from PubChem (CID 167542891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).