1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine

C14H18BrFN2O2S — CID 103697553

IUPAC1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
SMILESO=S(=O)(c1ccc(Br)c(F)c1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H18BrFN2O2S/c15-13-4-3-12(9-14(13)16)21(19,20)18-8-5-11(10-18)17-6-1-2-7-17/h3-4,9,11H,1-2,5-8,10H2
InChIKeyLFSQTTYBZPXDPL-UHFFFAOYSA-N
MW377.28 g/mol
LogP2.45
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine

1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 103697553) has the molecular formula C14H18BrFN2O2S and a molecular weight of 377.28 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
PubChem CID103697553
Molecular FormulaC14H18BrFN2O2S
Molecular Weight377.28 g/mol
Exact Mass376.03
IUPAC Name1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
SMILESO=S(=O)(c1ccc(Br)c(F)c1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C14H18BrFN2O2S/c15-13-4-3-12(9-14(13)16)21(19,20)18-8-5-11(10-18)17-6-1-2-7-17/h3-4,9,11H,1-2,5-8,10H2
InChIKeyLFSQTTYBZPXDPL-UHFFFAOYSA-N
XLogP2.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115329305
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 103828949
1-(4-bromo-3-fluorophenyl)sulfonylpiperidine-3-carbaldehyde
CID 107652875
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
CID 103829007
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine
CID 103697564
1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715271
1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 107093333
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984110
2-[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]acetic acid
CID 106703051
2-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115330068
1-(4-bromo-3-fluorophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 113349608

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine (CID 103697553) is 1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine is O=S(=O)(c1ccc(Br)c(F)c1)N1CCC(N2CCCC2)C1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is LFSQTTYBZPXDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2S/c15-13-4-3-12(9-14(13)16)21(19,20)18-8-5-11(10-18)17-6-1-2-7-17/h3-4,9,11H,1-2,5-8,10H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine?
1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 377.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 103697553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).