2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide

C13H9Br2F2NO2S — CID 60822685

IUPAC2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C13H9Br2F2NO2S/c1-7-2-3-8(14)4-12(7)18-21(19,20)13-10(15)5-9(16)6-11(13)17/h2-6,18H,1H3
InChIKeyUZOOSDWEWKVRCC-UHFFFAOYSA-N
MW441.09 g/mol
LogP4.60
Rot. Bonds3

About 2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide

2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide (PubChem CID 60822685) has the molecular formula C13H9Br2F2NO2S and a molecular weight of 441.09 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
PubChem CID60822685
Molecular FormulaC13H9Br2F2NO2S
Molecular Weight441.09 g/mol
Exact Mass438.87
IUPAC Name2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C13H9Br2F2NO2S/c1-7-2-3-8(14)4-12(7)18-21(19,20)13-10(15)5-9(16)6-11(13)17/h2-6,18H,1H3
InChIKeyUZOOSDWEWKVRCC-UHFFFAOYSA-N
XLogP4.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.09
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2,5-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 63422484
2-bromo-4,6-difluoro-N-(2-methylphenyl)benzenesulfonamide
CID 26952261
2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 60640704
2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79044269
2-bromo-4,6-difluoro-N-(3-methylphenyl)benzenesulfonamide
CID 26951704
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide
CID 60661133
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 60984738
2-bromo-N-(2-bromo-3-chlorophenyl)-4,6-difluorobenzenesulfonamide
CID 103481212
2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237176
N-(5-amino-2-chlorophenyl)-2-bromo-4,6-difluorobenzenesulfonamide
CID 61013622
2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 40645404

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide (CID 60822685) is 2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide is Cc1ccc(Br)cc1NS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide?
The InChIKey is UZOOSDWEWKVRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2F2NO2S/c1-7-2-3-8(14)4-12(7)18-21(19,20)13-10(15)5-9(16)6-11(13)17/h2-6,18H,1H3.
What are the key properties of 2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide?
2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide has a molecular weight of 441.09 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide is sourced from PubChem (CID 60822685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).