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

C15H12F2N2O3S2 — CID 1270154

IUPAC4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
SMILESO=C1CS[C@@H](c2ccc(F)cc2)N1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12F2N2O3S2/c16-11-3-1-10(2-4-11)15-19(14(20)9-23-15)18-24(21,22)13-7-5-12(17)6-8-13/h1-8,15,18H,9H2/t15-/m0/s1
InChIKeyQOADQBBGEJQLKB-HNNXBMFYSA-N
MW370.40 g/mol
LogP2.43
Rot. Bonds4

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

4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide (PubChem CID 1270154) has the molecular formula C15H12F2N2O3S2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
PubChem CID1270154
Molecular FormulaC15H12F2N2O3S2
Molecular Weight370.40 g/mol
Exact Mass370.03
IUPAC Name4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
SMILESO=C1CS[C@@H](c2ccc(F)cc2)N1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12F2N2O3S2/c16-11-3-1-10(2-4-11)15-19(14(20)9-23-15)18-24(21,22)13-7-5-12(17)6-8-13/h1-8,15,18H,9H2/t15-/m0/s1
InChIKeyQOADQBBGEJQLKB-HNNXBMFYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide (CID 1270154) is 4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide is O=C1CS[C@@H](c2ccc(F)cc2)N1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide?
The InChIKey is QOADQBBGEJQLKB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H12F2N2O3S2/c16-11-3-1-10(2-4-11)15-19(14(20)9-23-15)18-24(21,22)13-7-5-12(17)6-8-13/h1-8,15,18H,9H2/t15-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide?
4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide has a molecular weight of 370.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 1270154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).