5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide

C13H13Br2NO2S2 — CID 103606955

IUPAC5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C13H13Br2NO2S2/c1-9-2-3-10(14)8-12(9)20(17,18)16-7-6-11-4-5-13(15)19-11/h2-5,8,16H,6-7H2,1H3
InChIKeyFGWYGUKUIOFMKU-UHFFFAOYSA-N
MW439.19 g/mol
LogP4.10
Rot. Bonds5

About 5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide

5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 103606955) has the molecular formula C13H13Br2NO2S2 and a molecular weight of 439.19 g/mol. Its IUPAC name is 5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
PubChem CID103606955
Molecular FormulaC13H13Br2NO2S2
Molecular Weight439.19 g/mol
Exact Mass436.88
IUPAC Name5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C13H13Br2NO2S2/c1-9-2-3-10(14)8-12(9)20(17,18)16-7-6-11-4-5-13(15)19-11/h2-5,8,16H,6-7H2,1H3
InChIKeyFGWYGUKUIOFMKU-UHFFFAOYSA-N
XLogP4.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.19
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106035146
5-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103744466
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethylbenzenesulfonamide
CID 106035162
N-(2-amino-2-methylpropyl)-5-bromo-2-methylbenzenesulfonamide
CID 115303519
N-(2-amino-2-ethylbutyl)-5-bromo-2-methylbenzenesulfonamide
CID 115306000
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106035109
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,3-difluorobenzenesulfonamide
CID 106035077
3-[(5-bromothiophen-2-yl)methylsulfamoyl]-4-methylbenzoic acid
CID 60745057
5-bromo-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 62045684
5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide (CID 103606955) is 5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NCCc1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is FGWYGUKUIOFMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO2S2/c1-9-2-3-10(14)8-12(9)20(17,18)16-7-6-11-4-5-13(15)19-11/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide?
5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 439.19 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 103606955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).