4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide

C22H14F2N2O3S2 — CID 22911826

IUPAC4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(C(=O)c3ccc(F)cc3)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H14F2N2O3S2/c23-16-7-1-14(2-8-16)20(27)22-26-19(13-5-11-18(12-6-13)31(25,28)29)21(30-22)15-3-9-17(24)10-4-15/h1-12H,(H2,25,28,29)
InChIKeyZIIGAIWJUAVTGZ-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.63
Rot. Bonds5

About 4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide

4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 22911826) has the molecular formula C22H14F2N2O3S2 and a molecular weight of 456.50 g/mol. Its IUPAC name is 4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID22911826
Molecular FormulaC22H14F2N2O3S2
Molecular Weight456.50 g/mol
Exact Mass456.04
IUPAC Name4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(C(=O)c3ccc(F)cc3)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H14F2N2O3S2/c23-16-7-1-14(2-8-16)20(27)22-26-19(13-5-11-18(12-6-13)31(25,28)29)21(30-22)15-3-9-17(24)10-4-15/h1-12H,(H2,25,28,29)
InChIKeyZIIGAIWJUAVTGZ-UHFFFAOYSA-N
XLogP4.63
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide (CID 22911826) is 4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc(C(=O)c3ccc(F)cc3)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is ZIIGAIWJUAVTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O3S2/c23-16-7-1-14(2-8-16)20(27)22-26-19(13-5-11-18(12-6-13)31(25,28)29)21(30-22)15-3-9-17(24)10-4-15/h1-12H,(H2,25,28,29).
What are the key properties of 4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide?
4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 456.50 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 22911826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).