5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide

C12H11Br2NO2S2 — CID 107577586

IUPAC5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2cc(Br)sc2C)c1
InChIInChI=1S/C12H11Br2NO2S2/c1-7-3-9(13)5-10(4-7)15-19(16,17)11-6-12(14)18-8(11)2/h3-6,15H,1-2H3
InChIKeySGLIHKKDZQPMKF-UHFFFAOYSA-N
MW425.17 g/mol
LogP4.69
Rot. Bonds3

About 5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide

5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide (PubChem CID 107577586) has the molecular formula C12H11Br2NO2S2 and a molecular weight of 425.17 g/mol. Its IUPAC name is 5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide
PubChem CID107577586
Molecular FormulaC12H11Br2NO2S2
Molecular Weight425.17 g/mol
Exact Mass422.86
IUPAC Name5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2cc(Br)sc2C)c1
InChIInChI=1S/C12H11Br2NO2S2/c1-7-3-9(13)5-10(4-7)15-19(16,17)11-6-12(14)18-8(11)2/h3-6,15H,1-2H3
InChIKeySGLIHKKDZQPMKF-UHFFFAOYSA-N
XLogP4.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.17
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 104856695
5-bromo-N-(4-bromo-2-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 102671870
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide
CID 106831927
5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide
CID 82819513
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 75356482
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 71972231
5-bromo-N-(2-bromo-3-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 103816032
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
N-(3-bromo-5-methylphenyl)thiophene-2-sulfonamide
CID 110604781
5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104937765
5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide
CID 115690365

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide (CID 107577586) is 5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide is Cc1cc(Br)cc(NS(=O)(=O)c2cc(Br)sc2C)c1.
What is the InChIKey of 5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is SGLIHKKDZQPMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO2S2/c1-7-3-9(13)5-10(4-7)15-19(16,17)11-6-12(14)18-8(11)2/h3-6,15H,1-2H3.
What are the key properties of 5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide?
5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 425.17 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 107577586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).