3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide

C11H12BrNO2S3 — CID 61068284

IUPAC3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1sccc1Br)c1cccs1
InChIInChI=1S/C11H12BrNO2S3/c1-2-9(10-4-3-6-16-10)13-18(14,15)11-8(12)5-7-17-11/h3-7,9,13H,2H2,1H3
InChIKeyITLSEDQEUKWBIE-UHFFFAOYSA-N
MW366.33 g/mol
LogP4.00
Rot. Bonds5

About 3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide

3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide (PubChem CID 61068284) has the molecular formula C11H12BrNO2S3 and a molecular weight of 366.33 g/mol. Its IUPAC name is 3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
PubChem CID61068284
Molecular FormulaC11H12BrNO2S3
Molecular Weight366.33 g/mol
Exact Mass364.92
IUPAC Name3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1sccc1Br)c1cccs1
InChIInChI=1S/C11H12BrNO2S3/c1-2-9(10-4-3-6-16-10)13-18(14,15)11-8(12)5-7-17-11/h3-7,9,13H,2H2,1H3
InChIKeyITLSEDQEUKWBIE-UHFFFAOYSA-N
XLogP4.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(1-phenylpropyl)thiophene-2-sulfonamide
CID 62047666
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 63994007
2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide
CID 63420561
2-[(3-bromothiophen-2-yl)sulfonylamino]-N'-hydroxybutanimidamide
CID 109374287
3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 79268179
5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 106053416
N-(1-thiophen-2-ylpropyl)pyrrolidine-1-sulfonamide
CID 131924146
4-amino-3-fluoro-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 82844715
5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 61068619

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide (CID 61068284) is 3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide is CCC(NS(=O)(=O)c1sccc1Br)c1cccs1.
What is the InChIKey of 3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is ITLSEDQEUKWBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2S3/c1-2-9(10-4-3-6-16-10)13-18(14,15)11-8(12)5-7-17-11/h3-7,9,13H,2H2,1H3.
What are the key properties of 3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide?
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 366.33 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61068284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).