2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine

C14H13Br2NO2S2 — CID 63422446

IUPAC2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C14H13Br2NO2S2/c15-11-4-1-3-10(9-11)12-5-2-8-17(12)21(18,19)14-7-6-13(16)20-14/h1,3-4,6-7,9,12H,2,5,8H2
InChIKeyHKPBWAFOYDZWFN-UHFFFAOYSA-N
MW451.21 g/mol
LogP4.80
Rot. Bonds3

About 2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine

2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine (PubChem CID 63422446) has the molecular formula C14H13Br2NO2S2 and a molecular weight of 451.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine
PubChem CID63422446
Molecular FormulaC14H13Br2NO2S2
Molecular Weight451.21 g/mol
Exact Mass448.88
IUPAC Name2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C14H13Br2NO2S2/c15-11-4-1-3-10(9-11)12-5-2-8-17(12)21(18,19)14-7-6-13(16)20-14/h1,3-4,6-7,9,12H,2,5,8H2
InChIKeyHKPBWAFOYDZWFN-UHFFFAOYSA-N
XLogP4.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.21
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 94080774
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51855580
1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 50746966
2-(3-bromophenyl)-1-(3-chloropropylsulfonyl)pyrrolidine
CID 54877163
1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 4522839
4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 60727492
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 55698155
[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 43043075
4-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 46366420
5-[(2R)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 95116742
5-[(2R)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 95116698
5-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53206215

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine?
The IUPAC name of 2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine (CID 63422446) is 2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine?
The canonical SMILES for 2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine is O=S(=O)(c1ccc(Br)s1)N1CCCC1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine?
The InChIKey is HKPBWAFOYDZWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2S2/c15-11-4-1-3-10(9-11)12-5-2-8-17(12)21(18,19)14-7-6-13(16)20-14/h1,3-4,6-7,9,12H,2,5,8H2.
What are the key properties of 2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine?
2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine has a molecular weight of 451.21 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine is sourced from PubChem (CID 63422446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).