2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine

C11H12ClF2NO2S — CID 63397513

IUPAC2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCCC1CCl
InChIInChI=1S/C11H12ClF2NO2S/c12-7-9-2-1-5-15(9)18(16,17)11-6-8(13)3-4-10(11)14/h3-4,6,9H,1-2,5,7H2
InChIKeySNAOZKCGPFNOQZ-UHFFFAOYSA-N
MW295.74 g/mol
LogP2.36
Rot. Bonds3

About 2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine

2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine (PubChem CID 63397513) has the molecular formula C11H12ClF2NO2S and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
PubChem CID63397513
Molecular FormulaC11H12ClF2NO2S
Molecular Weight295.74 g/mol
Exact Mass295.02
IUPAC Name2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCCC1CCl
InChIInChI=1S/C11H12ClF2NO2S/c12-7-9-2-1-5-15(9)18(16,17)11-6-8(13)3-4-10(11)14/h3-4,6,9H,1-2,5,7H2
InChIKeySNAOZKCGPFNOQZ-UHFFFAOYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylazepane
CID 116639751
2-[[1-(2,5-difluorophenyl)sulfonylpyrrolidin-2-yl]methyl]triazole
CID 126852616
2-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylazepane
CID 116639765
2-(2-bromoethyl)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 80671795
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid
CID 61010119
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 63397694
2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 63397673
[(2S)-1-(2-bromo-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124701057
(2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
CID 51855932
3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine
CID 63767384
2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine
CID 105400680

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine (CID 63397513) is 2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine is O=S(=O)(c1cc(F)ccc1F)N1CCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine?
The InChIKey is SNAOZKCGPFNOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2S/c12-7-9-2-1-5-15(9)18(16,17)11-6-8(13)3-4-10(11)14/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine?
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine has a molecular weight of 295.74 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 63397513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).