5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide

C12H10BrF2NO2S2 — CID 82819513

IUPAC5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2cc(Br)sc2C)c1F
InChIInChI=1S/C12H10BrF2NO2S2/c1-6-3-4-8(14)12(11(6)15)16-20(17,18)9-5-10(13)19-7(9)2/h3-5,16H,1-2H3
InChIKeyCGWJLWPFQJRXNH-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.21
Rot. Bonds3

About 5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide

5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide (PubChem CID 82819513) has the molecular formula C12H10BrF2NO2S2 and a molecular weight of 382.25 g/mol. Its IUPAC name is 5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide
PubChem CID82819513
Molecular FormulaC12H10BrF2NO2S2
Molecular Weight382.25 g/mol
Exact Mass380.93
IUPAC Name5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2cc(Br)sc2C)c1F
InChIInChI=1S/C12H10BrF2NO2S2/c1-6-3-4-8(14)12(11(6)15)16-20(17,18)9-5-10(13)19-7(9)2/h3-5,16H,1-2H3
InChIKeyCGWJLWPFQJRXNH-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 75356482
5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide
CID 107577586
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide
CID 106831927
5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 104856695
5-bromo-N-(2-bromo-3-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 103816032
5-bromo-N-(4-bromo-2-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 102671870
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 71972231
5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833131
5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide
CID 115690365
5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
CID 104705322
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 115687613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide (CID 82819513) is 5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide is Cc1ccc(F)c(NS(=O)(=O)c2cc(Br)sc2C)c1F.
What is the InChIKey of 5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is CGWJLWPFQJRXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NO2S2/c1-6-3-4-8(14)12(11(6)15)16-20(17,18)9-5-10(13)19-7(9)2/h3-5,16H,1-2H3.
What are the key properties of 5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide?
5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 382.25 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 82819513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).