2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

C14H14BrFN2O2S — CID 61073789

IUPAC2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(c1ccc(F)cc1Br)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H14BrFN2O2S/c15-11-9-10(16)5-6-14(11)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
InChIKeyZYEYKMMPYGEBQW-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.44
Rot. Bonds3

About 2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (PubChem CID 61073789) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
PubChem CID61073789
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(c1ccc(F)cc1Br)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H14BrFN2O2S/c15-11-9-10(16)5-6-14(11)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
InChIKeyZYEYKMMPYGEBQW-UHFFFAOYSA-N
XLogP3.44
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 61073788
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 47176211
2-fluoro-4-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 82845487
4-chloro-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 61116545
2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873150
1-(2-bromo-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 61060723
2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole
CID 61357186
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine
CID 93302829
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873160
[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984882
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110873181
3-methyl-8-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylquinoline
CID 167832851

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The IUPAC name of 2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (CID 61073789) is 2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The canonical SMILES for 2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is O=S(=O)(c1ccc(F)cc1Br)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The InChIKey is ZYEYKMMPYGEBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c15-11-9-10(16)5-6-14(11)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-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole has a molecular weight of 373.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is sourced from PubChem (CID 61073789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).