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

C11H7Br2F2NO2S2 — CID 75356364

IUPAC5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)sc1Br
InChIInChI=1S/C11H7Br2F2NO2S2/c1-5-2-9(19-11(5)13)20(17,18)16-10-7(12)3-6(14)4-8(10)15/h2-4,16H,1H3
InChIKeyVYOJPEDOBWINJE-UHFFFAOYSA-N
MW447.12 g/mol
LogP4.66
Rot. Bonds3

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

5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 75356364) 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)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
PubChem CID75356364
Molecular FormulaC11H7Br2F2NO2S2
Molecular Weight447.12 g/mol
Exact Mass444.83
IUPAC Name5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)sc1Br
InChIInChI=1S/C11H7Br2F2NO2S2/c1-5-2-9(19-11(5)13)20(17,18)16-10-7(12)3-6(14)4-8(10)15/h2-4,16H,1H3
InChIKeyVYOJPEDOBWINJE-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-(4-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79933721
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 75356482
N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 81310728
5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933429
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylbenzenesulfonamide
CID 60661133
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 107575185
5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43236888
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 79995879
5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
CID 65201956
2-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452545
N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide
CID 60640147

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide (CID 75356364) is 5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)sc1Br.
What is the InChIKey of 5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is VYOJPEDOBWINJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2F2NO2S2/c1-5-2-9(19-11(5)13)20(17,18)16-10-7(12)3-6(14)4-8(10)15/h2-4,16H,1H3.
What are the key properties of 5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-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)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 75356364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).