methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate

C17H14FNO4S2 — CID 130427894

IUPACmethyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)N2C(=O)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO4S2/c1-23-17(21)12-4-8-14(9-5-12)25(22)19-15(20)10-24-16(19)11-2-6-13(18)7-3-11/h2-9,16H,10H2,1H3
InChIKeyNPNMXWRCUVPCPE-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.91
Rot. Bonds4

About methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate

methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate (PubChem CID 130427894) has the molecular formula C17H14FNO4S2 and a molecular weight of 379.43 g/mol. Its IUPAC name is methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate
PubChem CID130427894
Molecular FormulaC17H14FNO4S2
Molecular Weight379.43 g/mol
Exact Mass379.03
IUPAC Namemethyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)N2C(=O)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO4S2/c1-23-17(21)12-4-8-14(9-5-12)25(22)19-15(20)10-24-16(19)11-2-6-13(18)7-3-11/h2-9,16H,10H2,1H3
InChIKeyNPNMXWRCUVPCPE-UHFFFAOYSA-N
XLogP2.91
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate with MolForge

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Related Compounds

Methyl 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoate
CID 3394424
Methyl 4-((2-(4-(trifluoromethyl)phenyl)thiazolidin-3-yl)sulfonyl)benzoate
CID 86264766
Methyl 4-(2-(3-fluorophenyl)thiazolidine-3-carbonyl)benzoate
CID 86264776
Methyl 4-{[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate
CID 1231245
Methyl 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]sulfonylbenzoate
CID 24731901
Methyl 4-({4-[methyl-(2-trifluoromethylbenzyl)amino]-4-oxobutyl}thio)benzoate
CID 66679947
Methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]benzoate
CID 130385646
Methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfonyl]benzoate
CID 130385846
Methyl 4-[3-(4-fluorophenyl)sulfonylpyrrolidine-1-carbonyl]benzoate
CID 134373693
Methyl 2-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]methyl]benzoate
CID 141728955
Methyl 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzoate
CID 4310845
Ethyl 4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzoate
CID 2676082

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate?
The IUPAC name of methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate (CID 130427894) is methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate?
The canonical SMILES for methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate is COC(=O)c1ccc(S(=O)N2C(=O)CSC2c2ccc(F)cc2)cc1.
What is the InChIKey of methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate?
The InChIKey is NPNMXWRCUVPCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4S2/c1-23-17(21)12-4-8-14(9-5-12)25(22)19-15(20)10-24-16(19)11-2-6-13(18)7-3-11/h2-9,16H,10H2,1H3.
What are the key properties of methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate?
methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate has a molecular weight of 379.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]sulfinyl]benzoate is sourced from PubChem (CID 130427894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).