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

C11H18BrNO2S2 — CID 79994653

IUPAC5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(C)c(Br)s1)C(C)C
InChIInChI=1S/C11H18BrNO2S2/c1-5-9(7(2)3)13-17(14,15)10-6-8(4)11(12)16-10/h6-7,9,13H,5H2,1-4H3
InChIKeyWTIBZVZFJMCHQE-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.53
Rot. Bonds5

About 5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide (PubChem CID 79994653) has the molecular formula C11H18BrNO2S2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
PubChem CID79994653
Molecular FormulaC11H18BrNO2S2
Molecular Weight340.31 g/mol
Exact Mass339.00
IUPAC Name5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(C)c(Br)s1)C(C)C
InChIInChI=1S/C11H18BrNO2S2/c1-5-9(7(2)3)13-17(14,15)10-6-8(4)11(12)16-10/h6-7,9,13H,5H2,1-4H3
InChIKeyWTIBZVZFJMCHQE-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 80580103
5-(ethylaminomethyl)-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018782
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 83180558
5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide
CID 79995355
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988717
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766
5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
CID 115692248
N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 114208119
5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide
CID 113271709
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanoate
CID 79988235
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide
CID 79987384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide (CID 79994653) is 5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide is CCC(NS(=O)(=O)c1cc(C)c(Br)s1)C(C)C.
What is the InChIKey of 5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
The InChIKey is WTIBZVZFJMCHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2S2/c1-5-9(7(2)3)13-17(14,15)10-6-8(4)11(12)16-10/h6-7,9,13H,5H2,1-4H3.
What are the key properties of 5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide has a molecular weight of 340.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 79994653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).