4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide

C15H8Br2F2N2O4S — CID 22746284

IUPAC4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(-c2coc(=O)n2-c2ccc(Br)c(Br)c2)cc1F
InChIInChI=1S/C15H8Br2F2N2O4S/c16-9-2-1-7(3-10(9)17)21-13(6-25-15(21)22)8-4-12(19)14(5-11(8)18)26(20,23)24/h1-6H,(H2,20,23,24)
InChIKeyDMDQZNSDXLDTLK-UHFFFAOYSA-N
MW510.11 g/mol
LogP3.55
Rot. Bonds3

About 4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide

4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 22746284) has the molecular formula C15H8Br2F2N2O4S and a molecular weight of 510.11 g/mol. Its IUPAC name is 4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
PubChem CID22746284
Molecular FormulaC15H8Br2F2N2O4S
Molecular Weight510.11 g/mol
Exact Mass507.85
IUPAC Name4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(-c2coc(=O)n2-c2ccc(Br)c(Br)c2)cc1F
InChIInChI=1S/C15H8Br2F2N2O4S/c16-9-2-1-7(3-10(9)17)21-13(6-25-15(21)22)8-4-12(19)14(5-11(8)18)26(20,23)24/h1-6H,(H2,20,23,24)
InChIKeyDMDQZNSDXLDTLK-UHFFFAOYSA-N
XLogP3.55
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.11
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-bromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22745615
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-cyclohexyl-2-oxo-1,3-oxazol-4-yl)-2,5-difluorobenzenesulfonamide
CID 22746722
3-(3,4-dibromophenyl)-4-(2,5-difluoro-4-methylsulfonylphenyl)-1,3-thiazol-2-one
CID 18754679
2,5-difluoro-4-[3-(4-fluorophenyl)-2-oxo-1,3-thiazol-4-yl]benzenesulfonamide
CID 22746702
4-[3-(3,5-difluorophenyl)-2-oxo-1,3-thiazol-4-yl]-2,5-difluorobenzenesulfonamide
CID 22746727
4-[1-(3,5-dibromophenyl)-3-(difluoromethyl)pyrazol-5-yl]-2,5-difluorobenzenesulfonamide
CID 10230705
4-[3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)pyrazol-5-yl]-2,5-difluorobenzenesulfonamide
CID 22747330
4-[1-(3-cyano-4-methylphenyl)-3-(difluoromethyl)pyrazol-5-yl]-2,5-difluorobenzenesulfonamide
CID 22747432
4-[4-(3,5-difluoro-4-methylsulfonylphenyl)-2-oxo-1,3-oxazol-3-yl]-2-methylbenzonitrile
CID 18754910
3,4-dibromo-2-fluorobenzenesulfonamide
CID 130822552

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of 4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide (CID 22746284) is 4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)c(-c2coc(=O)n2-c2ccc(Br)c(Br)c2)cc1F.
What is the InChIKey of 4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is DMDQZNSDXLDTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2F2N2O4S/c16-9-2-1-7(3-10(9)17)21-13(6-25-15(21)22)8-4-12(19)14(5-11(8)18)26(20,23)24/h1-6H,(H2,20,23,24).
What are the key properties of 4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide?
4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 510.11 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dibromophenyl)-2-oxo-1,3-oxazol-4-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 22746284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).