2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine

C11H13Cl2NO2S — CID 63397694

IUPAC2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC1CCl
InChIInChI=1S/C11H13Cl2NO2S/c12-8-10-2-1-7-14(10)17(15,16)11-5-3-9(13)4-6-11/h3-6,10H,1-2,7-8H2
InChIKeyOQJQMAXHNZVOFH-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.73
Rot. Bonds3

About 2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine

2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine (PubChem CID 63397694) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
PubChem CID63397694
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC1CCl
InChIInChI=1S/C11H13Cl2NO2S/c12-8-10-2-1-7-14(10)17(15,16)11-5-3-9(13)4-6-11/h3-6,10H,1-2,7-8H2
InChIKeyOQJQMAXHNZVOFH-UHFFFAOYSA-N
XLogP2.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.73
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-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
2-(benzenesulfonylmethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 90585721
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 63396610
(4aS,8aR)-1-(4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 6946060
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
CID 63397513
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
CID 70332287
4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286218
[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260963

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine (CID 63397694) is 2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(Cl)cc1)N1CCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine?
The InChIKey is OQJQMAXHNZVOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c12-8-10-2-1-7-14(10)17(15,16)11-5-3-9(13)4-6-11/h3-6,10H,1-2,7-8H2.
What are the key properties of 2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine?
2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine has a molecular weight of 294.20 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 63397694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).