2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine

C12H15Cl2NO2S — CID 63396610

IUPAC2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCCC1CCl
InChIInChI=1S/C12H15Cl2NO2S/c13-9-11-5-1-2-7-15(11)18(16,17)12-6-3-4-10(14)8-12/h3-4,6,8,11H,1-2,5,7,9H2
InChIKeyCGVRPRXIOWCAKH-UHFFFAOYSA-N
MW308.23 g/mol
LogP3.12
Rot. Bonds3

About 2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine

2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine (PubChem CID 63396610) has the molecular formula C12H15Cl2NO2S and a molecular weight of 308.23 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine
PubChem CID63396610
Molecular FormulaC12H15Cl2NO2S
Molecular Weight308.23 g/mol
Exact Mass307.02
IUPAC Name2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCCCC1CCl
InChIInChI=1S/C12H15Cl2NO2S/c13-9-11-5-1-2-7-15(11)18(16,17)12-6-3-4-10(14)8-12/h3-4,6,8,11H,1-2,5,7,9H2
InChIKeyCGVRPRXIOWCAKH-UHFFFAOYSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 53.12
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-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 70264662
2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine
CID 24627301
1-(3-chlorophenyl)sulfonylazepan-2-amine
CID 64560340
2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 63397694
3-amino-N-[[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584700
(2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine
CID 141047061
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
CID 110871963
3-(2-ethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 43266562
1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965267
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42065079

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine?
The IUPAC name of 2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine (CID 63396610) is 2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine.
What is the SMILES notation for 2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine?
The canonical SMILES for 2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine is O=S(=O)(c1cccc(Cl)c1)N1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine?
The InChIKey is CGVRPRXIOWCAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2S/c13-9-11-5-1-2-7-15(11)18(16,17)12-6-3-4-10(14)8-12/h3-4,6,8,11H,1-2,5,7,9H2.
What are the key properties of 2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine?
2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine has a molecular weight of 308.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine is sourced from PubChem (CID 63396610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).