4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide

C22H19FN2O4S2 — CID 42804733

IUPAC4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(N2C(=O)CSC2c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H19FN2O4S2/c1-29-19-10-8-18(9-11-19)25-21(26)14-30-22(25)15-2-6-17(7-3-15)24-31(27,28)20-12-4-16(23)5-13-20/h2-13,22,24H,14H2,1H3
InChIKeyRTERGGNGUKJFLB-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.41
Rot. Bonds6

About 4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide

4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (PubChem CID 42804733) has the molecular formula C22H19FN2O4S2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
PubChem CID42804733
Molecular FormulaC22H19FN2O4S2
Molecular Weight458.54 g/mol
Exact Mass458.08
IUPAC Name4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc(N2C(=O)CSC2c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H19FN2O4S2/c1-29-19-10-8-18(9-11-19)25-21(26)14-30-22(25)15-2-6-17(7-3-15)24-31(27,28)20-12-4-16(23)5-13-20/h2-13,22,24H,14H2,1H3
InChIKeyRTERGGNGUKJFLB-UHFFFAOYSA-N
XLogP4.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide with MolForge

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Related Compounds

4-methoxy-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804735
N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125434
3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 17384306
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
N-[4-[3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 42806226
N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide
CID 42804701
N-[1-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]ethenyl]-4-methoxybenzenesulfonamide
CID 145367079
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 6935158
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 741588
2-fluoro-N-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125379

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (CID 42804733) is 4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is COc1ccc(N2C(=O)CSC2c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The InChIKey is RTERGGNGUKJFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4S2/c1-29-19-10-8-18(9-11-19)25-21(26)14-30-22(25)15-2-6-17(7-3-15)24-31(27,28)20-12-4-16(23)5-13-20/h2-13,22,24H,14H2,1H3.
What are the key properties of 4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide has a molecular weight of 458.54 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 42804733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).