2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide

C12H6Br3F2NO2S — CID 60640704

IUPAC2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1Br)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H6Br3F2NO2S/c13-6-1-2-11(8(14)3-6)18-21(19,20)12-9(15)4-7(16)5-10(12)17/h1-5,18H
InChIKeyUAYFBWJRUVEZBC-UHFFFAOYSA-N
MW505.96 g/mol
LogP5.05
Rot. Bonds3

About 2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide

2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide (PubChem CID 60640704) has the molecular formula C12H6Br3F2NO2S and a molecular weight of 505.96 g/mol. Its IUPAC name is 2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
PubChem CID60640704
Molecular FormulaC12H6Br3F2NO2S
Molecular Weight505.96 g/mol
Exact Mass502.76
IUPAC Name2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1Br)c1c(F)cc(F)cc1Br
InChIInChI=1S/C12H6Br3F2NO2S/c13-6-1-2-11(8(14)3-6)18-21(19,20)12-9(15)4-7(16)5-10(12)17/h1-5,18H
InChIKeyUAYFBWJRUVEZBC-UHFFFAOYSA-N
XLogP5.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.96
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(2,4-dibromophenyl)-4,6-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

2-bromo-N-(2,5-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 63422484
2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
CID 60822685
2-bromo-4,6-difluoro-N-(2-methylphenyl)benzenesulfonamide
CID 26952261
2-bromo-N-(2-bromo-3-chlorophenyl)-4,6-difluorobenzenesulfonamide
CID 103481212
2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79044269
N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide
CID 61013622
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
CID 26951704
2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394148
2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775763
2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 40645404
2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
CID 61472212

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide (CID 60640704) is 2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)cc1Br)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide?
The InChIKey is UAYFBWJRUVEZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br3F2NO2S/c13-6-1-2-11(8(14)3-6)18-21(19,20)12-9(15)4-7(16)5-10(12)17/h1-5,18H.
What are the key properties of 2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide?
2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide has a molecular weight of 505.96 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide is sourced from PubChem (CID 60640704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).