1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine

C14H19Br2NO2S — CID 83220667

IUPAC1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine
SMILESCCC1CCC(C)N1S(=O)(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C14H19Br2NO2S/c1-4-11-6-5-10(3)17(11)20(18,19)14-8-12(15)9(2)7-13(14)16/h7-8,10-11H,4-6H2,1-3H3
InChIKeyOKZUJTZCVIAAOJ-UHFFFAOYSA-N
MW425.19 g/mol
LogP4.47
Rot. Bonds3

About 1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine

1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine (PubChem CID 83220667) has the molecular formula C14H19Br2NO2S and a molecular weight of 425.19 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine
PubChem CID83220667
Molecular FormulaC14H19Br2NO2S
Molecular Weight425.19 g/mol
Exact Mass422.95
IUPAC Name1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine
SMILESCCC1CCC(C)N1S(=O)(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C14H19Br2NO2S/c1-4-11-6-5-10(3)17(11)20(18,19)14-8-12(15)9(2)7-13(14)16/h7-8,10-11H,4-6H2,1-3H3
InChIKeyOKZUJTZCVIAAOJ-UHFFFAOYSA-N
XLogP4.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.19
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-bromo-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methylphenyl]methanamine
CID 83219304
4-bromo-2-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoroaniline
CID 106492008
2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine
CID 83228170
[5-bromo-3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 83218746
1-(3-bromo-4-methoxyphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine
CID 83218669
[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-5-fluoro-4-methylphenyl]methanol
CID 83219801
1-[2,4-dichloro-5-(chloromethyl)phenyl]sulfonyl-2-ethyl-5-methylpyrrolidine
CID 83219941
4-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
CID 83217894
[1-(2,5-dibromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 81326897
[2,4-dichloro-5-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]methanol
CID 83218798
[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-fluorophenyl]methanol
CID 83224560
2-(bromomethyl)-1-(2,5-dibromo-4-methylphenyl)sulfonylpiperidine
CID 81327929

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine (CID 83220667) is 1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine is CCC1CCC(C)N1S(=O)(=O)c1cc(Br)c(C)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine?
The InChIKey is OKZUJTZCVIAAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO2S/c1-4-11-6-5-10(3)17(11)20(18,19)14-8-12(15)9(2)7-13(14)16/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine?
1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine has a molecular weight of 425.19 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-methylphenyl)sulfonyl-2-ethyl-5-methylpyrrolidine is sourced from PubChem (CID 83220667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).