1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine

C15H19BrFNO2S — CID 116528534

IUPAC1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine
SMILESO=S(=O)(c1ccc(Br)cc1F)N1CCCC1C1CCCC1
InChIInChI=1S/C15H19BrFNO2S/c16-12-7-8-15(13(17)10-12)21(19,20)18-9-3-6-14(18)11-4-1-2-5-11/h7-8,10-11,14H,1-6,9H2
InChIKeyOSVXDEUDGNKXRK-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.93
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine

1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine (PubChem CID 116528534) has the molecular formula C15H19BrFNO2S and a molecular weight of 376.29 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine
PubChem CID116528534
Molecular FormulaC15H19BrFNO2S
Molecular Weight376.29 g/mol
Exact Mass375.03
IUPAC Name1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine
SMILESO=S(=O)(c1ccc(Br)cc1F)N1CCCC1C1CCCC1
InChIInChI=1S/C15H19BrFNO2S/c16-12-7-8-15(13(17)10-12)21(19,20)18-9-3-6-14(18)11-4-1-2-5-11/h7-8,10-11,14H,1-6,9H2
InChIKeyOSVXDEUDGNKXRK-UHFFFAOYSA-N
XLogP3.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-4-bromoaniline
CID 60986335
1-(5-bromo-2-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60660873
1-(4-bromo-2-fluorophenyl)sulfonyl-2-(bromomethyl)piperidine
CID 116530001
2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 61045786
(4aS,8aS)-1-(3-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926523
1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 78989322
1-(2-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 47104020
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-5-chloroaniline
CID 43627944
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-5-chloroaniline
CID 102725258
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-3-bromoaniline
CID 65319536
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-4-bromoaniline
CID 65207194
1-(4-bromo-2-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 116528215

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine (CID 116528534) is 1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine is O=S(=O)(c1ccc(Br)cc1F)N1CCCC1C1CCCC1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine?
The InChIKey is OSVXDEUDGNKXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2S/c16-12-7-8-15(13(17)10-12)21(19,20)18-9-3-6-14(18)11-4-1-2-5-11/h7-8,10-11,14H,1-6,9H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine?
1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine has a molecular weight of 376.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)sulfonyl-2-cyclopentylpyrrolidine is sourced from PubChem (CID 116528534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).