1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine

C8H8BrCl2NO2S2 — CID 2805381

IUPAC1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1c(Cl)sc(Cl)c1Br)N1CCCC1
InChIInChI=1S/C8H8BrCl2NO2S2/c9-5-6(8(11)15-7(5)10)16(13,14)12-3-1-2-4-12/h1-4H2
InChIKeyHFKBBEYOIHRJQW-UHFFFAOYSA-N
MW365.10 g/mol
LogP3.60
Rot. Bonds2

About 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine

1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine (PubChem CID 2805381) has the molecular formula C8H8BrCl2NO2S2 and a molecular weight of 365.10 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
PubChem CID2805381
Molecular FormulaC8H8BrCl2NO2S2
Molecular Weight365.10 g/mol
Exact Mass362.86
IUPAC Name1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1c(Cl)sc(Cl)c1Br)N1CCCC1
InChIInChI=1S/C8H8BrCl2NO2S2/c9-5-6(8(11)15-7(5)10)16(13,14)12-3-1-2-4-12/h1-4H2
InChIKeyHFKBBEYOIHRJQW-UHFFFAOYSA-N
XLogP3.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.10
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpiperazin-1-yl]ethanone
CID 23737547
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 3554016
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 3720824
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 23854150
1-(3-bromo-2,4,6-trimethylphenyl)sulfonylazepane
CID 91670160
1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
CID 2805365
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine
CID 60652131
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
2-bromo-3-chloro-6-fluoro-5-pyrrolidin-1-ylsulfonylaniline
CID 103077139
3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline
CID 43256817
(3,4-dichlorophenyl) 4-bromo-2,5-dichlorothiophene-3-sulfonate
CID 2805405

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine (CID 2805381) is 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine is O=S(=O)(c1c(Cl)sc(Cl)c1Br)N1CCCC1.
What is the InChIKey of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine?
The InChIKey is HFKBBEYOIHRJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrCl2NO2S2/c9-5-6(8(11)15-7(5)10)16(13,14)12-3-1-2-4-12/h1-4H2.
What are the key properties of 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine?
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine has a molecular weight of 365.10 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine is sourced from PubChem (CID 2805381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).