2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

C14H14Br2N2O2S — CID 61073788

IUPAC2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(c1ccc(Br)cc1Br)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H14Br2N2O2S/c15-10-5-6-14(11(16)9-10)21(19,20)18-8-2-4-13(18)12-3-1-7-17-12/h1,3,5-7,9,13,17H,2,4,8H2
InChIKeyFRNNKBAVHFWJER-UHFFFAOYSA-N
MW434.15 g/mol
LogP4.07
Rot. Bonds3

About 2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (PubChem CID 61073788) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is 2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
PubChem CID61073788
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC Name2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(c1ccc(Br)cc1Br)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H14Br2N2O2S/c15-10-5-6-14(11(16)9-10)21(19,20)18-8-2-4-13(18)12-3-1-7-17-12/h1,3,5-7,9,13,17H,2,4,8H2
InChIKeyFRNNKBAVHFWJER-UHFFFAOYSA-N
XLogP4.07
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-cyanoethyl)-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide
CID 145989918
2,4-dibromo-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 1104488
2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 42958826
N-(4-bromo-2,5-difluorophenyl)-5-(6-bromo-2-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 172147208
4-bromo-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 789093
2-[(2R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 40148694
2-[(2S)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 40148695
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 47176211
2-bromo-4-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 47257497
2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 47298751
2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 61073789
5-fluoro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 61116180

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The IUPAC name of 2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (CID 61073788) is 2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The canonical SMILES for 2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is O=S(=O)(c1ccc(Br)cc1Br)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The InChIKey is FRNNKBAVHFWJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c15-10-5-6-14(11(16)9-10)21(19,20)18-8-2-4-13(18)12-3-1-7-17-12/h1,3,5-7,9,13,17H,2,4,8H2.
What are the key properties of 2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole has a molecular weight of 434.15 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is sourced from PubChem (CID 61073788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).