3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide

C11H18BrNO2S2 — CID 61072692

IUPAC3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H18BrNO2S2/c1-8(2)7-9(3)13(4)17(14,15)11-10(12)5-6-16-11/h5-6,8-9H,7H2,1-4H3
InChIKeyAOOYRJVQMBDYMU-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.57
Rot. Bonds5

About 3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide

3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide (PubChem CID 61072692) has the molecular formula C11H18BrNO2S2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
PubChem CID61072692
Molecular FormulaC11H18BrNO2S2
Molecular Weight340.31 g/mol
Exact Mass339.00
IUPAC Name3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H18BrNO2S2/c1-8(2)7-9(3)13(4)17(14,15)11-10(12)5-6-16-11/h5-6,8-9H,7H2,1-4H3
InChIKeyAOOYRJVQMBDYMU-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide
CID 61456147
3-bromo-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide
CID 136517186
3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 61457823
3-bromo-N,N-dipropylthiophene-2-sulfonamide
CID 55136537
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 61067762
3-bromo-N-(2-chloroethyl)-N-methylthiophene-2-sulfonamide
CID 63396569
5-[methyl(4-methylpentan-2-yl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113391960
3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
CID 61067426
3-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]-2-methylpropanethioamide
CID 54987518
3-bromo-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 61073287
1-(3-bromothiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999884
3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
CID 61458158

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide (CID 61072692) is 3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide is CC(C)CC(C)N(C)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
The InChIKey is AOOYRJVQMBDYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2S2/c1-8(2)7-9(3)13(4)17(14,15)11-10(12)5-6-16-11/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide has a molecular weight of 340.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 61072692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).