3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine

C10H11BrFNO2S — CID 80666772

IUPAC3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(Br)C1
InChIInChI=1S/C10H11BrFNO2S/c11-8-5-6-13(7-8)16(14,15)10-3-1-9(12)2-4-10/h1-4,8H,5-7H2
InChIKeyZKLZCBRVSIHGSG-UHFFFAOYSA-N
MW308.17 g/mol
LogP1.98
Rot. Bonds2

About 3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine

3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine (PubChem CID 80666772) has the molecular formula C10H11BrFNO2S and a molecular weight of 308.17 g/mol. Its IUPAC name is 3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
PubChem CID80666772
Molecular FormulaC10H11BrFNO2S
Molecular Weight308.17 g/mol
Exact Mass306.97
IUPAC Name3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(Br)C1
InChIInChI=1S/C10H11BrFNO2S/c11-8-5-6-13(7-8)16(14,15)10-3-1-9(12)2-4-10/h1-4,8H,5-7H2
InChIKeyZKLZCBRVSIHGSG-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
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1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
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1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
CID 7175888
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
3-bromo-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidine
CID 80668908
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
3-bromo-1-(4-methylphenyl)sulfonylpiperidine
CID 80676007
(3aR,7aS)-5-(4-fluorophenyl)sulfonyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one
CID 52936856
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine
CID 106613066

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine?
The IUPAC name of 3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine (CID 80666772) is 3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(F)cc1)N1CCC(Br)C1.
What is the InChIKey of 3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine?
The InChIKey is ZKLZCBRVSIHGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2S/c11-8-5-6-13(7-8)16(14,15)10-3-1-9(12)2-4-10/h1-4,8H,5-7H2.
What are the key properties of 3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine?
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine has a molecular weight of 308.17 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 80666772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).