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

C15H9F3N2O3S2 — CID 22746702

IUPAC2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(-c2csc(=O)n2-c2ccc(F)cc2)cc1F
InChIInChI=1S/C15H9F3N2O3S2/c16-8-1-3-9(4-2-8)20-13(7-24-15(20)21)10-5-12(18)14(6-11(10)17)25(19,22)23/h1-7H,(H2,19,22,23)
InChIKeyWJFJNZAMQSNYPK-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.63
Rot. Bonds3

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

2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 22746702) has the molecular formula C15H9F3N2O3S2 and a molecular weight of 386.38 g/mol. Its IUPAC name is 2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID22746702
Molecular FormulaC15H9F3N2O3S2
Molecular Weight386.38 g/mol
Exact Mass386.00
IUPAC Name2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(-c2csc(=O)n2-c2ccc(F)cc2)cc1F
InChIInChI=1S/C15H9F3N2O3S2/c16-8-1-3-9(4-2-8)20-13(7-24-15(20)21)10-5-12(18)14(6-11(10)17)25(19,22)23/h1-7H,(H2,19,22,23)
InChIKeyWJFJNZAMQSNYPK-UHFFFAOYSA-N
XLogP2.63
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22746727
3-(3,4-dibromophenyl)-4-(2,5-difluoro-4-methylsulfonylphenyl)-1,3-thiazol-2-one
CID 18754679
3-[4-(2,5-difluoro-4-methylsulfonylphenyl)-2-oxo-1,3-thiazol-3-yl]benzonitrile
CID 18754706
4-[3-(4-bromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22745615
4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22746284
2,5-difluoro-4-[3-(3-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 22745756
4-[3-(3,5-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22747134
3-(4-fluorophenyl)-4-hydroxy-1,3-thiazol-2-one
CID 91570018
2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22746497
4-[3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)pyrazol-5-yl]-2,5-difluorobenzenesulfonamide
CID 22747330
4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide
CID 22746722
2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide
CID 22745488

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide (CID 22746702) is 2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1cc(F)c(-c2csc(=O)n2-c2ccc(F)cc2)cc1F.
What is the InChIKey of 2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is WJFJNZAMQSNYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O3S2/c16-8-1-3-9(4-2-8)20-13(7-24-15(20)21)10-5-12(18)14(6-11(10)17)25(19,22)23/h1-7H,(H2,19,22,23).
What are the key properties of 2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide?
2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 386.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 22746702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).