5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide

C11H18BrNO2S2 — CID 63836483

IUPAC5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H18BrNO2S2/c1-4-9(5-2)8(3)13-17(14,15)11-7-6-10(12)16-11/h6-9,13H,4-5H2,1-3H3
InChIKeyVMAXTWBWLQPOTK-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.61
Rot. Bonds6

About 5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide

5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide (PubChem CID 63836483) has the molecular formula C11H18BrNO2S2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
PubChem CID63836483
Molecular FormulaC11H18BrNO2S2
Molecular Weight340.31 g/mol
Exact Mass339.00
IUPAC Name5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C11H18BrNO2S2/c1-4-9(5-2)8(3)13-17(14,15)11-7-6-10(12)16-11/h6-9,13H,4-5H2,1-3H3
InChIKeyVMAXTWBWLQPOTK-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 65033663
N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063280
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide
CID 8802651
N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106063275
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
5-bromo-N-(4-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 83179426
5-bromo-N-[(2S,3R)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 66929812
5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 55029070
5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide
CID 115662596
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 22500893

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide (CID 63836483) is 5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide is CCC(CC)C(C)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide?
The InChIKey is VMAXTWBWLQPOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2S2/c1-4-9(5-2)8(3)13-17(14,15)11-7-6-10(12)16-11/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide has a molecular weight of 340.31 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 63836483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).