5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide

C11H9Br2NO2S2 — CID 22773978

IUPAC5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(Br)c1
InChIInChI=1S/C11H9Br2NO2S2/c1-7-2-3-9(8(12)6-7)14-18(15,16)11-5-4-10(13)17-11/h2-6,14H,1H3
InChIKeyBFIXOAYXWBIXJP-UHFFFAOYSA-N
MW411.14 g/mol
LogP4.38
Rot. Bonds3

About 5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide

5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide (PubChem CID 22773978) has the molecular formula C11H9Br2NO2S2 and a molecular weight of 411.14 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
PubChem CID22773978
Molecular FormulaC11H9Br2NO2S2
Molecular Weight411.14 g/mol
Exact Mass408.84
IUPAC Name5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(Br)c1
InChIInChI=1S/C11H9Br2NO2S2/c1-7-2-3-9(8(12)6-7)14-18(15,16)11-5-4-10(13)17-11/h2-6,14H,1H3
InChIKeyBFIXOAYXWBIXJP-UHFFFAOYSA-N
XLogP4.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.14
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 22773592
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8523278
5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide
CID 60640598
N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
5-bromo-N-(4-bromo-2,5-difluorophenyl)thiophene-2-sulfonamide
CID 103844048
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 60550023
N-(2-bromo-4-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884611
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 26979452
5-chloro-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 4845679
4-amino-2,6-dibromo-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 43258134

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide (CID 22773978) is 5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(Br)c1.
What is the InChIKey of 5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is BFIXOAYXWBIXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO2S2/c1-7-2-3-9(8(12)6-7)14-18(15,16)11-5-4-10(13)17-11/h2-6,14H,1H3.
What are the key properties of 5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide?
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 411.14 g/mol, XLogP of 4.38, 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-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 22773978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).