5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide

C11H7Br2F2NO2S2 — CID 75356482

IUPAC5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H7Br2F2NO2S2/c1-5-9(4-10(13)19-5)20(17,18)16-11-7(12)2-6(14)3-8(11)15/h2-4,16H,1H3
InChIKeyVTEXDKLQSCGXBV-UHFFFAOYSA-N
MW447.12 g/mol
LogP4.66
Rot. Bonds3

About 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide

5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide (PubChem CID 75356482) has the molecular formula C11H7Br2F2NO2S2 and a molecular weight of 447.12 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide
PubChem CID75356482
Molecular FormulaC11H7Br2F2NO2S2
Molecular Weight447.12 g/mol
Exact Mass444.83
IUPAC Name5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H7Br2F2NO2S2/c1-5-9(4-10(13)19-5)20(17,18)16-11-7(12)2-6(14)3-8(11)15/h2-4,16H,1H3
InChIKeyVTEXDKLQSCGXBV-UHFFFAOYSA-N
XLogP4.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.12
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide
CID 82819513
5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 75356364
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide
CID 60661133
N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62142695
5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
CID 65201956
5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide
CID 107577586
N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide
CID 60640147
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluorobenzenesulfonamide
CID 63322042
5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 104856695
5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43236888
N-(2-bromo-4,6-difluorophenyl)-2,6-dichlorobenzenesulfonamide
CID 112769161
N-(2-bromo-4,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629170

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide (CID 75356482) is 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is VTEXDKLQSCGXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2F2NO2S2/c1-5-9(4-10(13)19-5)20(17,18)16-11-7(12)2-6(14)3-8(11)15/h2-4,16H,1H3.
What are the key properties of 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide?
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 447.12 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 75356482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).