4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide

C15H8F4N2O3S2 — CID 22746727

IUPAC4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(-c2csc(=O)n2-c2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C15H8F4N2O3S2/c16-7-1-8(17)3-9(2-7)21-13(6-25-15(21)22)10-4-12(19)14(5-11(10)18)26(20,23)24/h1-6H,(H2,20,23,24)
InChIKeyYOPNFUUPDRATPW-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.77
Rot. Bonds3

About 4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide

4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 22746727) has the molecular formula C15H8F4N2O3S2 and a molecular weight of 404.37 g/mol. Its IUPAC name is 4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide
PubChem CID22746727
Molecular FormulaC15H8F4N2O3S2
Molecular Weight404.37 g/mol
Exact Mass403.99
IUPAC Name4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(-c2csc(=O)n2-c2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C15H8F4N2O3S2/c16-7-1-8(17)3-9(2-7)21-13(6-25-15(21)22)10-4-12(19)14(5-11(10)18)26(20,23)24/h1-6H,(H2,20,23,24)
InChIKeyYOPNFUUPDRATPW-UHFFFAOYSA-N
XLogP2.77
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide with MolForge

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Related Compounds

2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide
CID 22746702
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
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
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
4-(3-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide
CID 22746722
4-[3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)pyrazol-5-yl]-2,5-difluorobenzenesulfonamide
CID 22747330
4-[1-(3,5-dibromophenyl)-3-(difluoromethyl)pyrazol-5-yl]-2,5-difluorobenzenesulfonamide
CID 10230705
2,5-difluoro-4-[2-(4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22746497
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 4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of 4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide (CID 22746727) is 4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)c(-c2csc(=O)n2-c2cc(F)cc(F)c2)cc1F.
What is the InChIKey of 4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is YOPNFUUPDRATPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O3S2/c16-7-1-8(17)3-9(2-7)21-13(6-25-15(21)22)10-4-12(19)14(5-11(10)18)26(20,23)24/h1-6H,(H2,20,23,24).
What are the key properties of 4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide?
4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 404.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 22746727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).