5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide

C9H10BrNO2S2 — CID 115662596

IUPAC5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H10BrNO2S2/c1-3-4-7(2)11-15(12,13)9-6-5-8(10)14-9/h1,5-7,11H,4H2,2H3
InChIKeyWMYYOWKAXBWKKQ-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.20
Rot. Bonds4

About 5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide

5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide (PubChem CID 115662596) has the molecular formula C9H10BrNO2S2 and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide
PubChem CID115662596
Molecular FormulaC9H10BrNO2S2
Molecular Weight308.22 g/mol
Exact Mass306.93
IUPAC Name5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H10BrNO2S2/c1-3-4-7(2)11-15(12,13)9-6-5-8(10)14-9/h1,5-7,11H,4H2,2H3
InChIKeyWMYYOWKAXBWKKQ-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-bromo-N-(4-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 83179426
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
5-bromo-N-(1-morpholin-4-ylpropan-2-yl)thiophene-2-sulfonamide
CID 54938192
5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 55029070
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
4-methyl-N-[(2S)-pent-4-yn-2-yl]benzenesulfonamide
CID 86604885
5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 65033663
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide
CID 8802651

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide (CID 115662596) is 5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide is C#CCC(C)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide?
The InChIKey is WMYYOWKAXBWKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S2/c1-3-4-7(2)11-15(12,13)9-6-5-8(10)14-9/h1,5-7,11H,4H2,2H3.
What are the key properties of 5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide?
5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide has a molecular weight of 308.22 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 115662596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).