6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine

C13H17Cl2NO3S — CID 114781786

IUPAC6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)c2cccc(Cl)c2)CC(CCl)O1
InChIInChI=1S/C13H17Cl2NO3S/c1-13(2)9-16(8-11(7-14)19-13)20(17,18)12-5-3-4-10(15)6-12/h3-6,11H,7-9H2,1-2H3
InChIKeyXLVIMATWFOFSMI-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.75
Rot. Bonds3

About 6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine

6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine (PubChem CID 114781786) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
PubChem CID114781786
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)c2cccc(Cl)c2)CC(CCl)O1
InChIInChI=1S/C13H17Cl2NO3S/c1-13(2)9-16(8-11(7-14)19-13)20(17,18)12-5-3-4-10(15)6-12/h3-6,11H,7-9H2,1-2H3
InChIKeyXLVIMATWFOFSMI-UHFFFAOYSA-N
XLogP2.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-4-(2-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781760
6-(bromomethyl)-4-(3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781838
[4-(5-chloro-2-methylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779155
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone
CID 114781279
4-(benzenesulfonyl)-2,2,6-trimethylmorpholine
CID 47429979
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509
4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine
CID 114781769
2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine
CID 47429920
[2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol
CID 131695551
6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine
CID 114781770
2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433238
5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 114776516

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine?
The IUPAC name of 6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine (CID 114781786) is 6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine?
The canonical SMILES for 6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine is CC1(C)CN(S(=O)(=O)c2cccc(Cl)c2)CC(CCl)O1.
What is the InChIKey of 6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine?
The InChIKey is XLVIMATWFOFSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-13(2)9-16(8-11(7-14)19-13)20(17,18)12-5-3-4-10(15)6-12/h3-6,11H,7-9H2,1-2H3.
What are the key properties of 6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine?
6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine has a molecular weight of 338.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine is sourced from PubChem (CID 114781786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).