5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide

C11H18BrNO2S2 — CID 900484

IUPAC5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Br)s1)C(C)C
InChIInChI=1S/C11H18BrNO2S2/c1-7(2)11(8(3)4)13-17(14,15)10-6-5-9(12)16-10/h5-8,11,13H,1-4H3
InChIKeyMDUGXTBQJBTFQW-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.47
Rot. Bonds5

About 5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide

5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide (PubChem CID 900484) has the molecular formula C11H18BrNO2S2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide
PubChem CID900484
Molecular FormulaC11H18BrNO2S2
Molecular Weight340.31 g/mol
Exact Mass339.00
IUPAC Name5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Br)s1)C(C)C
InChIInChI=1S/C11H18BrNO2S2/c1-7(2)11(8(3)4)13-17(14,15)10-6-5-9(12)16-10/h5-8,11,13H,1-4H3
InChIKeyMDUGXTBQJBTFQW-UHFFFAOYSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide (CID 900484) is 5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide is CC(C)C(NS(=O)(=O)c1ccc(Br)s1)C(C)C.
What is the InChIKey of 5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide?
The InChIKey is MDUGXTBQJBTFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2S2/c1-7(2)11(8(3)4)13-17(14,15)10-6-5-9(12)16-10/h5-8,11,13H,1-4H3.
What are the key properties of 5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide?
5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide has a molecular weight of 340.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-dimethylpentan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 900484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).