3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine

C11H12ClF2NO2S — CID 63400627

IUPAC3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(CCl)C1
InChIInChI=1S/C11H12ClF2NO2S/c12-6-8-3-4-15(7-8)18(16,17)11-2-1-9(13)5-10(11)14/h1-2,5,8H,3-4,6-7H2
InChIKeyWOSWNTHCFDXTBP-UHFFFAOYSA-N
MW295.74 g/mol
LogP2.21
Rot. Bonds3

About 3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine

3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine (PubChem CID 63400627) has the molecular formula C11H12ClF2NO2S and a molecular weight of 295.74 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
PubChem CID63400627
Molecular FormulaC11H12ClF2NO2S
Molecular Weight295.74 g/mol
Exact Mass295.02
IUPAC Name3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCC(CCl)C1
InChIInChI=1S/C11H12ClF2NO2S/c12-6-8-3-4-15(7-8)18(16,17)11-2-1-9(13)5-10(11)14/h1-2,5,8H,3-4,6-7H2
InChIKeyWOSWNTHCFDXTBP-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-1-(2,4-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-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744856
3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 121197755
3-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 63397617
3-(2,4-difluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314201
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 63400843
3-(chloromethyl)-1-(2-fluorophenyl)sulfonylpiperidine
CID 55188405
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248386
4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 82689238
3-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 114801916
1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine
CID 142458057
N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879108
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine?
The IUPAC name of 3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine (CID 63400627) is 3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(F)cc1F)N1CCC(CCl)C1.
What is the InChIKey of 3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine?
The InChIKey is WOSWNTHCFDXTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2S/c12-6-8-3-4-15(7-8)18(16,17)11-2-1-9(13)5-10(11)14/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine?
3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine has a molecular weight of 295.74 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 63400627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).