2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine

C13H16BrClFNO2S — CID 105400680

IUPAC2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(F)ccc1Cl)N1CCCC1CCCBr
InChIInChI=1S/C13H16BrClFNO2S/c14-7-1-3-11-4-2-8-17(11)20(18,19)13-9-10(16)5-6-12(13)15/h5-6,9,11H,1-4,7-8H2
InChIKeyIAZUXOWQJXYEDA-UHFFFAOYSA-N
MW384.70 g/mol
LogP3.81
Rot. Bonds5

About 2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine

2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine (PubChem CID 105400680) has the molecular formula C13H16BrClFNO2S and a molecular weight of 384.70 g/mol. Its IUPAC name is 2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine
PubChem CID105400680
Molecular FormulaC13H16BrClFNO2S
Molecular Weight384.70 g/mol
Exact Mass382.98
IUPAC Name2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(F)ccc1Cl)N1CCCC1CCCBr
InChIInChI=1S/C13H16BrClFNO2S/c14-7-1-3-11-4-2-8-17(11)20(18,19)13-9-10(16)5-6-12(13)15/h5-6,9,11H,1-4,7-8H2
InChIKeyIAZUXOWQJXYEDA-UHFFFAOYSA-N
XLogP3.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.70
LogP ≤ 53.81
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

2-(3-bromopropyl)-1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 80674869
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 105400230
2-(3-bromopropyl)-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 80674099
2-(2-bromoethyl)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 80671795
2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 95632899
3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine
CID 63767384
2-(3-bromopropyl)-1-(2-methylphenyl)sulfonylpyrrolidine
CID 80675411
(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709
1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine
CID 105400292
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862650
1-(2-chloro-5-fluorophenyl)sulfonyl-2-isocyanatopyrrolidine
CID 105400275

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine?
The IUPAC name of 2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine (CID 105400680) is 2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine is O=S(=O)(c1cc(F)ccc1Cl)N1CCCC1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine?
The InChIKey is IAZUXOWQJXYEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClFNO2S/c14-7-1-3-11-4-2-8-17(11)20(18,19)13-9-10(16)5-6-12(13)15/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine?
2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine has a molecular weight of 384.70 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 105400680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).