5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide

C8H11BrClNO2S2 — CID 65033663

IUPAC5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CCl)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H11BrClNO2S2/c1-2-6(5-10)11-15(12,13)8-4-3-7(9)14-8/h3-4,6,11H,2,5H2,1H3
InChIKeyPIYOPMSLSCVARH-UHFFFAOYSA-N
MW332.67 g/mol
LogP2.81
Rot. Bonds5

About 5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide

5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide (PubChem CID 65033663) has the molecular formula C8H11BrClNO2S2 and a molecular weight of 332.67 g/mol. Its IUPAC name is 5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide
PubChem CID65033663
Molecular FormulaC8H11BrClNO2S2
Molecular Weight332.67 g/mol
Exact Mass330.91
IUPAC Name5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CCl)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H11BrClNO2S2/c1-2-6(5-10)11-15(12,13)8-4-3-7(9)14-8/h3-4,6,11H,2,5H2,1H3
InChIKeyPIYOPMSLSCVARH-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
5-bromo-N-(4-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 83179426
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 22500893
N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide
CID 114298402
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 60652296
3-[(5-bromothiophen-2-yl)sulfonylamino]-4-(dimethylamino)butanoic acid
CID 68740912
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide
CID 8802651
5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 55029070
5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide
CID 115662596

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide (CID 65033663) is 5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide is CCC(CCl)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is PIYOPMSLSCVARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClNO2S2/c1-2-6(5-10)11-15(12,13)8-4-3-7(9)14-8/h3-4,6,11H,2,5H2,1H3.
What are the key properties of 5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 332.67 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 65033663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).