5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene

C24H12Br2F4O2S — CID 141174374

IUPAC5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene
SMILESO=S(=O)(c1ccccc1-c1c(F)cc(Br)cc1F)c1ccccc1-c1c(F)cc(Br)cc1F
InChIInChI=1S/C24H12Br2F4O2S/c25-13-9-17(27)23(18(28)10-13)15-5-1-3-7-21(15)33(31,32)22-8-4-2-6-16(22)24-19(29)11-14(26)12-20(24)30/h1-12H
InChIKeyRNDZZUSPKCXZQE-UHFFFAOYSA-N
MW600.23 g/mol
LogP7.93
Rot. Bonds4

About 5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene

5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene (PubChem CID 141174374) has the molecular formula C24H12Br2F4O2S and a molecular weight of 600.23 g/mol. Its IUPAC name is 5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene
PubChem CID141174374
Molecular FormulaC24H12Br2F4O2S
Molecular Weight600.23 g/mol
Exact Mass597.89
IUPAC Name5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene
SMILESO=S(=O)(c1ccccc1-c1c(F)cc(Br)cc1F)c1ccccc1-c1c(F)cc(Br)cc1F
InChIInChI=1S/C24H12Br2F4O2S/c25-13-9-17(27)23(18(28)10-13)15-5-1-3-7-21(15)33(31,32)22-8-4-2-6-16(22)24-19(29)11-14(26)12-20(24)30/h1-12H
InChIKeyRNDZZUSPKCXZQE-UHFFFAOYSA-N
XLogP7.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.23
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene 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

1,5-dibromo-2-(2-fluorophenyl)-3-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)benzene
CID 173059309
6-bromo-4-fluoro-2-benzofuran-1,3-dione
CID 162731905
2-fluoro-1-(2-fluorophenyl)sulfonyl-4-methylbenzene
CID 162721199
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
2-[2-(4-bromo-2,6-difluorophenyl)-2-oxoethyl]sulfonylbenzenesulfonamide
CID 58119582
1-(2,4-dichlorophenyl)-3-[3-(2,4-dichlorophenyl)-2-fluorophenyl]sulfonyl-2-fluorobenzene
CID 87132291
2-bromo-3-(3,5-difluorophenyl)inden-1-one
CID 123876513
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
1,2-dichloro-3-[2-[2-(2,3-dichlorophenyl)phenyl]sulfonylphenyl]benzene
CID 139890496
1-(2-fluorophenyl)sulfonylnaphthalene
CID 141142216
N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide
CID 47387730

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene?
The IUPAC name of 5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene (CID 141174374) is 5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene.
What is the SMILES notation for 5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene?
The canonical SMILES for 5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene is O=S(=O)(c1ccccc1-c1c(F)cc(Br)cc1F)c1ccccc1-c1c(F)cc(Br)cc1F.
What is the InChIKey of 5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene?
The InChIKey is RNDZZUSPKCXZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Br2F4O2S/c25-13-9-17(27)23(18(28)10-13)15-5-1-3-7-21(15)33(31,32)22-8-4-2-6-16(22)24-19(29)11-14(26)12-20(24)30/h1-12H.
What are the key properties of 5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene?
5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene has a molecular weight of 600.23 g/mol, XLogP of 7.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-[2-(4-bromo-2,6-difluorophenyl)phenyl]sulfonylphenyl]-1,3-difluorobenzene is sourced from PubChem (CID 141174374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).