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

C22H19FN2O3S2 — CID 93125092

IUPAC4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
SMILESCc1cccc(N2C(=O)CS[C@@H]2c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H19FN2O3S2/c1-15-4-2-7-19(12-15)25-21(26)14-29-22(25)16-5-3-6-18(13-16)24-30(27,28)20-10-8-17(23)9-11-20/h2-13,22,24H,14H2,1H3/t22-/m1/s1
InChIKeyGIRGHBIMYGCNEM-JOCHJYFZSA-N
MW442.54 g/mol
LogP4.71
Rot. Bonds5

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

4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (PubChem CID 93125092) has the molecular formula C22H19FN2O3S2 and a molecular weight of 442.54 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
PubChem CID93125092
Molecular FormulaC22H19FN2O3S2
Molecular Weight442.54 g/mol
Exact Mass442.08
IUPAC Name4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
SMILESCc1cccc(N2C(=O)CS[C@@H]2c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H19FN2O3S2/c1-15-4-2-7-19(12-15)25-21(26)14-29-22(25)16-5-3-6-18(13-16)24-30(27,28)20-10-8-17(23)9-11-20/h2-13,22,24H,14H2,1H3/t22-/m1/s1
InChIKeyGIRGHBIMYGCNEM-JOCHJYFZSA-N
XLogP4.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (CID 93125092) is 4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1.
What is the InChIKey of 4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
The InChIKey is GIRGHBIMYGCNEM-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19FN2O3S2/c1-15-4-2-7-19(12-15)25-21(26)14-29-22(25)16-5-3-6-18(13-16)24-30(27,28)20-10-8-17(23)9-11-20/h2-13,22,24H,14H2,1H3/t22-/m1/s1.
What are the key properties of 4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?
4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide has a molecular weight of 442.54 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 93125092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).