4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide

C21H16ClFN2O3S2 — CID 93124849

About 4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide

4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (PubChem CID 93124849) has the molecular formula C21H16ClFN2O3S2 and a molecular weight of 462.96 g/mol. Its IUPAC name is 4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
• PubChem CID: 93124849
• Molecular Formula: C21H16ClFN2O3S2
• Molecular Weight: 462.96 g/mol
• Exact Mass: 462.03
• IUPAC Name: 4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
• SMILES: O=C1CS[C@@H](c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)N1c1ccccc1F
• InChI: InChI=1S/C21H16ClFN2O3S2/c22-15-8-10-17(11-9-15)30(27,28)24-16-5-3-4-14(12-16)21-25(20(26)13-29-21)19-7-2-1-6-18(19)23/h1-12,21,24H,13H2/t21-/m0/s1
• InChIKey: FJRVYGRISKSMAR-NRFANRHFSA-N
• XLogP: 5.06
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.96
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?

The IUPAC name of 4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide (CID 93124849) is 4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is O=C1CS[C@@H](c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)N1c1ccccc1F.

What is the InChIKey of 4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?

The InChIKey is FJRVYGRISKSMAR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H16ClFN2O3S2/c22-15-8-10-17(11-9-15)30(27,28)24-16-5-3-4-14(12-16)21-25(20(26)13-29-21)19-7-2-1-6-18(19)23/h1-12,21,24H,13H2/t21-/m0/s1.

What are the key properties of 4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide?

4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide has a molecular weight of 462.96 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[3-[(2S)-3-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 93124849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).