4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine

C11H14Cl2N2O3S — CID 64607202

IUPAC4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C11H14Cl2N2O3S/c1-11(2)7-15(3-4-18-11)19(16,17)8-5-9(12)10(13)14-6-8/h5-6H,3-4,7H2,1-2H3
InChIKeyQGGCFJOWLTVTCH-UHFFFAOYSA-N
MW325.22 g/mol
LogP2.19
Rot. Bonds2

About 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine

4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine (PubChem CID 64607202) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine
PubChem CID64607202
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC Name4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C11H14Cl2N2O3S/c1-11(2)7-15(3-4-18-11)19(16,17)8-5-9(12)10(13)14-6-8/h5-6H,3-4,7H2,1-2H3
InChIKeyQGGCFJOWLTVTCH-UHFFFAOYSA-N
XLogP2.19
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine
CID 64608987
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline
CID 43592447
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607116
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,4-oxazepane
CID 64608038
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]azepane
CID 4730925
2-chloro-4-(2,2-dimethylmorpholin-4-yl)sulfonylbenzonitrile
CID 115582140
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine
CID 64623353
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 64606820
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-1,4-oxazepane
CID 64608037
2,3-dichloro-5-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 64608977
[4-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-pyridinyl]hydrazine
CID 54895589
4-[4-(2-chloroethyl)phenyl]sulfonyl-2,2-dimethylmorpholine
CID 43662638

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine (CID 64607202) is 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine is CC1(C)CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine?
The InChIKey is QGGCFJOWLTVTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c1-11(2)7-15(3-4-18-11)19(16,17)8-5-9(12)10(13)14-6-8/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine?
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine has a molecular weight of 325.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 64607202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).