5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide

C13H9Br2F2NO2S — CID 60661133

IUPAC5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H9Br2F2NO2S/c1-7-2-3-8(14)4-12(7)21(19,20)18-13-10(15)5-9(16)6-11(13)17/h2-6,18H,1H3
InChIKeyGXVNGGCQTLVEBC-UHFFFAOYSA-N
MW441.09 g/mol
LogP4.60
Rot. Bonds3

About 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide

5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide (PubChem CID 60661133) has the molecular formula C13H9Br2F2NO2S and a molecular weight of 441.09 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide
PubChem CID60661133
Molecular FormulaC13H9Br2F2NO2S
Molecular Weight441.09 g/mol
Exact Mass438.87
IUPAC Name5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H9Br2F2NO2S/c1-7-2-3-8(14)4-12(7)21(19,20)18-13-10(15)5-9(16)6-11(13)17/h2-6,18H,1H3
InChIKeyGXVNGGCQTLVEBC-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

5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
CID 104705322
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
CID 60822685
5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
CID 65201956
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 75356482
N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62142695
4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 116528134
N-(2-amino-4,6-difluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 81304571
5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 75356364

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide (CID 60661133) is 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is GXVNGGCQTLVEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2F2NO2S/c1-7-2-3-8(14)4-12(7)21(19,20)18-13-10(15)5-9(16)6-11(13)17/h2-6,18H,1H3.
What are the key properties of 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide?
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide 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 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 60661133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).